3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxo-ethyl]-N-propyl-benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-keto-2-(o-toluidino)ethyl]-N-propyl-benzamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H31N3O4S/c1-3-16-30(20-27(32)29-26-14-7-4-9-21(26)2)28(33)23-12-8-13-25(18-23)36(34,35)31-17-15-22-10-5-6-11-24(22)19-31/h4-14,18H,3,15-17,19-20H2,1-2H3,(H,29,32)