4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide

Systemtic Name: 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-thienylmethyl)benzamide CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-thenyl)benzamide Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NCC4=CC=CS4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NCC4=CC=CS4)Cl

InChI

InChI=1S/C21H19ClN2O3S2/c22-19-8-7-16(21(25)23-13-18-6-3-11-28-18)12-20(19)29(26,27)24-10-9-15-4-1-2-5-17(15)14-24/h1-8,11-12H,9-10,13-14H2,(H,23,25)