N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(dimethylamino)benzamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(dimethylamino)benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(dimethylamino)benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(dimethylamino)benzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(dimethylamino)benzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(dimethylamino)benzamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27N3O3S/c1-23(2)20-10-5-9-18(15-20)21(25)22-12-6-14-28(26,27)24-13-11-17-7-3-4-8-19(17)16-24/h3-5,7-10,15H,6,11-14,16H2,1-2H3,(H,22,25)