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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[4-(piperidin-1-ylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 3-methyl-4-oxo-N-[4-(1-piperidylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 3-methyl-4-oxo-N-[4-(1-piperidinylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 3-methyl-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-3-methyl-N-[4-(piperidinomethyl)phenyl]-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)NC3=CC=C(C=C3)CN4CCCCC4)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)CN4CCCCC4)NC1=O

InChI

InChI=1S/C22H27N3O3S2/c1-16-15-29-21-10-9-19(13-20(21)23-22(16)26)30(27,28)24-18-7-5-17(6-8-18)14-25-11-3-2-4-12-25/h5-10,13,16,24H,2-4,11-12,14-15H2,1H3,(H,23,26)