3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-(4-phenylpiperazino)sulfonylphenyl]methanone Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S2/c30-26(29-14-7-19-33-25-13-5-4-12-24(25)29)21-8-6-11-23(20-21)34(31,32)28-17-15-27(16-18-28)22-9-2-1-3-10-22/h1-6,8-13,20H,7,14-19H2