(3R)-2-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[[5-(acetamidomethyl)-2-thienyl]sulfonyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[[5-(acetamidomethyl)-2-thiophenyl]sulfonyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[[5-(acetamidomethyl)-2-thienyl]sulfonyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)NC

InChI

InChI=1S/C18H21N3O4S2/c1-12(22)20-10-15-7-8-17(26-15)27(24,25)21-11-14-6-4-3-5-13(14)9-16(21)18(23)19-2/h3-8,16H,9-11H2,1-2H3,(H,19,23)(H,20,22)/t16-/m1/s1