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

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-ethylpiperazin-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-ethyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C27H34N4O4S2 MolecularWeight: 542.71326

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CC(CC(C5)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CC(CC(C5)C)C

InChI

InChI=1S/C27H34N4O4S2/c1-4-29-11-13-30(14-12-29)27-28-24-10-7-22(16-25(24)36-27)35-26(32)21-5-8-23(9-6-21)37(33,34)31-17-19(2)15-20(3)18-31/h5-10,16,19-20H,4,11-15,17-18H2,1-3H3