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

Systemtic Name: 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pentyl-benzamide Openeye Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pentyl-benzamide CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pentylbenzamide IUPAC Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pentylbenzamide Traditional Name: N-amyl-4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25ClN2O3S/c1-2-3-6-12-23-21(25)17-9-10-19(22)20(14-17)28(26,27)24-13-11-16-7-4-5-8-18(16)15-24/h4-5,7-10,14H,2-3,6,11-13,15H2,1H3,(H,23,25)