1-methyl-4-[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]piperidin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]piperidin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-1-piperidyl]sulfonyl]pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-1-piperidinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidino]sulfonyl-pyrrole-2-carboxamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C22H28N4O4S2/c1-15-7-12-26(18-5-3-4-6-20(18)31-15)22(28)16-8-10-25(11-9-16)32(29,30)17-13-19(21(23)27)24(2)14-17/h3-6,13-16H,7-12H2,1-2H3,(H2,23,27)