[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3-methylpiperidino)sulfonylbenzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C30H32N4O4S2 MolecularWeight: 576.72948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C30H32N4O4S2/c1-22-6-5-15-34(21-22)40(36,37)26-12-9-23(10-13-26)29(35)38-25-11-14-27-28(20-25)39-30(31-27)33-18-16-32(17-19-33)24-7-3-2-4-8-24/h2-4,7-14,20,22H,5-6,15-19,21H2,1H3