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

Systemtic Name: 2-methyl-4-oxidanylidene-N-[4-(piperidin-1-ylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-[4-(1-piperidylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-[4-(1-piperidinylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-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:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)CN4CCCCC4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)CN4CCCCC4

InChI

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