[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)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-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H26N4O4S2/c1-25-12-14-26(15-13-25)23-24-20-9-6-18(16-21(20)32-23)31-22(28)17-4-7-19(8-5-17)33(29,30)27-10-2-3-11-27/h4-9,16H,2-3,10-15H2,1H3