7-[4-[oxidanyl(phenyl)methyl]piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-[oxidanyl(phenyl)methyl]piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-[hydroxy(phenyl)methyl]-1-piperidinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)O)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)O)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H24N2O3S/c25-20-10-13-28-19-7-6-17(14-18(19)23-20)22(27)24-11-8-16(9-12-24)21(26)15-4-2-1-3-5-15/h1-7,14,16,21,26H,8-13H2,(H,23,25)