2-azanyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(7-sulfamoyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-methyl-propanamide

Systemtic Name: 2-azanyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(7-sulfamoyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-methyl-propanamide Openeye Name: 2-amino-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(7-sulfamoyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-propanamide CAS Name: 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(7-sulfamoyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-methylpropanamide IUPAC Name: 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(7-sulfamoyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-methylpropanamide Traditional Name: 2-amino-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-(7-sulfamoyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-propionamide Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C24H29N5O4S/c1-24(2,25)23(31)28-21(12-16-13-27-20-6-4-3-5-19(16)20)22(30)29-10-9-15-7-8-18(34(26,32)33)11-17(15)14-29/h3-8,11,13,21,27H,9-10,12,14,25H2,1-2H3,(H,28,31)(H2,26,32,33)/t21-/m1/s1