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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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