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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)NC1=O

InChI

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