2-methyl-7-(4-phenylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-methyl-7-(4-phenylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-methyl-7-(4-phenylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-methyl-7-[(4-phenyl-1-piperazinyl)sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-methyl-7-(4-phenylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-methyl-7-(4-phenylpiperazino)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N3O3S2/c1-15-13-20(24)21-18-14-17(7-8-19(18)27-15)28(25,26)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3,(H,21,24)