2-methyl-7-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-methyl-7-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[(4-benzyl-1-piperidyl)sulfonyl]-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-methyl-7-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(4-benzylpiperidin-1-yl)sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-benzylpiperidino)sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3S2/c1-16-13-22(25)23-20-15-19(7-8-21(20)28-16)29(26,27)24-11-9-18(10-12-24)14-17-5-3-2-4-6-17/h2-8,15-16,18H,9-14H2,1H3,(H,23,25)