3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[methyl-(phenylmethyl)amino]propyl]thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[methyl-(phenylmethyl)amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[methyl-(phenylmethyl)amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

Isomeric SMILES

CN(CCCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S2/c1-27(18-20-8-3-2-4-9-20)15-7-14-26-25(29)24-23(13-17-32-24)33(30,31)28-16-12-21-10-5-6-11-22(21)19-28/h2-6,8-11,13,17H,7,12,14-16,18-19H2,1H3,(H,26,29)