3-methyl-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-4-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-4-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 3-methyl-4-oxo-N-[1-(phenylmethyl)-4-piperidinyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3CCN(CC3)CC4=CC=CC=C4)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3CCN(CC3)CC4=CC=CC=C4)NC1=O

InChI

InChI=1S/C22H27N3O3S2/c1-16-15-29-21-8-7-19(13-20(21)23-22(16)26)30(27,28)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,16,18,24H,9-12,14-15H2,1H3,(H,23,26)