N-(2-acetamidoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-(2-acetamidoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(2-acetamidoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(2-acetamidoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(2-acetamidoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(2-acetamidoethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H23N3O4S/c1-15(24)21-11-12-22-20(25)17-6-8-19(9-7-17)28(26,27)23-13-10-16-4-2-3-5-18(16)14-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25)