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

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]-4-methyl-pentanamide Openeye Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-4-methyl-pentanamide CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-4-methylpentanamide IUPAC Name: N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-4-methylpentanamide Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-piperidino-ethyl]-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-4-methyl-valeramide Formula: C33H45N5O5S MolecularWeight: 623.8059

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H45N5O5S/c1-20(2)16-27(37-44(41,42)30-21(3)17-29(43-6)22(4)23(30)5)32(39)36-28(33(40)38-14-8-7-9-15-38)19-24-10-11-26-25(18-24)12-13-35-31(26)34/h10-13,17-18,20,27-28,37H,7-9,14-16,19H2,1-6H3,(H2,34,35)(H,36,39)