[2-(2-piperidin-4-ylethanoylamino)-1,3-benzothiazol-6-yl] 4-[2-(ethylamino)ethylamino]benzenesulfonate

Systemtic Name: [2-(2-piperidin-4-ylethanoylamino)-1,3-benzothiazol-6-yl] 4-[2-(ethylamino)ethylamino]benzenesulfonate Openeye Name: [2-[[2-(4-piperidyl)acetyl]amino]-1,3-benzothiazol-6-yl] 4-[2-(ethylamino)ethylamino]benzenesulfonate CAS Name: 4-[2-(ethylamino)ethylamino]benzenesulfonic acid [2-[[1-oxo-2-(4-piperidinyl)ethyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[(2-piperidin-4-ylacetyl)amino]-1,3-benzothiazol-6-yl] 4-[2-(ethylamino)ethylamino]benzenesulfonate Traditional Name: 4-[2-(ethylamino)ethylamino]benzenesulfonic acid [2-[[2-(4-piperidyl)acetyl]amino]-1,3-benzothiazol-6-yl] ester Formula: C24H31N5O4S2 MolecularWeight: 517.66404

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)CC4CCNCC4

Isomeric SMILES

CCNCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)CC4CCNCC4

InChI

InChI=1S/C24H31N5O4S2/c1-2-25-13-14-27-18-3-6-20(7-4-18)35(31,32)33-19-5-8-21-22(16-19)34-24(28-21)29-23(30)15-17-9-11-26-12-10-17/h3-8,16-17,25-27H,2,9-15H2,1H3,(H,28,29,30)