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

Systemtic Name: 4-[3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]sulfonylpiperazin-2-one Openeye Name: 4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]sulfonylpiperazin-2-one CAS Name: 4-[3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]phenyl]sulfonyl-2-piperazinone IUPAC Name: 4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]sulfonylpiperazin-2-one Traditional Name: 4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]sulfonylpiperazin-2-one Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C21H23N3O4S2/c1-15-9-11-24(18-7-2-3-8-19(18)29-15)21(26)16-5-4-6-17(13-16)30(27,28)23-12-10-22-20(25)14-23/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)