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

Systemtic Name: [2-(2-piperidin-4-ylethanoylamino)-1,3-benzothiazol-6-yl] 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonate Openeye Name: [2-[[2-(4-piperidyl)acetyl]amino]-1,3-benzothiazol-6-yl] 4-[2-(isopropylamino)ethylamino]benzenesulfonate CAS Name: 4-[2-(propan-2-ylamino)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-(propan-2-ylamino)ethylamino]benzenesulfonate Traditional Name: 4-[2-(isopropylamino)ethylamino]benzenesulfonic acid [2-[[2-(4-piperidyl)acetyl]amino]-1,3-benzothiazol-6-yl] ester Formula: C25H33N5O4S2 MolecularWeight: 531.69062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)CC4CCNCC4

Isomeric SMILES

CC(C)NCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)CC4CCNCC4

InChI

InChI=1S/C25H33N5O4S2/c1-17(2)27-13-14-28-19-3-6-21(7-4-19)36(32,33)34-20-5-8-22-23(16-20)35-25(29-22)30-24(31)15-18-9-11-26-12-10-18/h3-8,16-18,26-28H,9-15H2,1-2H3,(H,29,30,31)