[2-(piperidin-4-ylcarbonylamino)-1,3-benzothiazol-6-yl] 4-[(2-methyl-2-oxidanyl-propyl)amino]benzenesulfonate

Systemtic Name: [2-(piperidin-4-ylcarbonylamino)-1,3-benzothiazol-6-yl] 4-[(2-methyl-2-oxidanyl-propyl)amino]benzenesulfonate Openeye Name: [2-(piperidine-4-carbonylamino)-1,3-benzothiazol-6-yl] 4-[(2-hydroxy-2-methyl-propyl)amino]benzenesulfonate CAS Name: 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonic acid [2-[[oxo(4-piperidinyl)methyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(piperidine-4-carbonylamino)-1,3-benzothiazol-6-yl] 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonate Traditional Name: 4-[(2-hydroxy-2-methyl-propyl)amino]benzenesulfonic acid [2-(isonipecotoylamino)-1,3-benzothiazol-6-yl] ester Formula: C23H28N4O5S2 MolecularWeight: 504.62222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCNCC4)O

Isomeric SMILES

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCNCC4)O

InChI

InChI=1S/C23H28N4O5S2/c1-23(2,29)14-25-16-3-6-18(7-4-16)34(30,31)32-17-5-8-19-20(13-17)33-22(26-19)27-21(28)15-9-11-24-12-10-15/h3-8,13,15,24-25,29H,9-12,14H2,1-2H3,(H,26,27,28)