N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-3-phenyl-propanamide

Systemtic Name: N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-3-phenyl-propanamide Openeye Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-3-phenyl-propanamide CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-phenylpropanamide IUPAC Name: N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-phenylpropanamide Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-piperidino-ethyl]-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-3-phenyl-propionamide Formula: C36H43N5O5S MolecularWeight: 657.82212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC4=C(C=C3)C(=NC=C4)N)C(=O)N5CCCCC5)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC4=C(C=C3)C(=NC=C4)N)C(=O)N5CCCCC5)C)C)OC

InChI

InChI=1S/C36H43N5O5S/c1-23-19-32(46-4)24(2)25(3)33(23)47(44,45)40-30(21-26-11-7-5-8-12-26)35(42)39-31(36(43)41-17-9-6-10-18-41)22-27-13-14-29-28(20-27)15-16-38-34(29)37/h5,7-8,11-16,19-20,30-31,40H,6,9-10,17-18,21-22H2,1-4H3,(H2,37,38)(H,39,42)