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

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]butanediamide Openeye Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]butanediamide CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]butanediamide IUPAC Name: N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]butanediamide Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-piperidino-ethyl]-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]succinamide Formula: C31H40N6O6S MolecularWeight: 624.7509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC(=O)N)C(=O)NC(CC2=CC3=C(C=C2)C(=NC=C3)N)C(=O)N4CCCCC4)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC(=O)N)C(=O)NC(CC2=CC3=C(C=C2)C(=NC=C3)N)C(=O)N4CCCCC4)C)C)OC

InChI

InChI=1S/C31H40N6O6S/c1-18-14-26(43-4)19(2)20(3)28(18)44(41,42)36-24(17-27(32)38)30(39)35-25(31(40)37-12-6-5-7-13-37)16-21-8-9-23-22(15-21)10-11-34-29(23)33/h8-11,14-15,24-25,36H,5-7,12-13,16-17H2,1-4H3,(H2,32,38)(H2,33,34)(H,35,39)