[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-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-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C31H34N4O4S2 MolecularWeight: 590.75606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(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)C

Isomeric SMILES

CC1CC(CN(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)C

InChI

InChI=1S/C31H34N4O4S2/c1-22-18-23(2)21-35(20-22)41(37,38)27-11-8-24(9-12-27)30(36)39-26-10-13-28-29(19-26)40-31(32-28)34-16-14-33(15-17-34)25-6-4-3-5-7-25/h3-13,19,22-23H,14-18,20-21H2,1-2H3