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

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-methylpiperazin-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-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3-methylpiperidino)sulfonylbenzoic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S2/c1-18-4-3-11-29(17-18)35(31,32)21-8-5-19(6-9-21)24(30)33-20-7-10-22-23(16-20)34-25(26-22)28-14-12-27(2)13-15-28/h5-10,16,18H,3-4,11-15,17H2,1-2H3