(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-[(5-methyl-2-thienyl)sulfonyl]-3-piperidyl]methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-[(5-methyl-2-thienyl)sulfonyl]-3-piperidyl]methanone Formula: C21H26N2O3S3 MolecularWeight: 450.63774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)C

InChI

InChI=1S/C21H26N2O3S3/c1-15-9-10-20(28-15)29(25,26)22-12-5-6-17(14-22)21(24)23-13-11-16(2)27-19-8-4-3-7-18(19)23/h3-4,7-10,16-17H,5-6,11-14H2,1-2H3