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

Systemtic Name: [2-(3-piperidin-4-ylpropanoylamino)-1,3-benzothiazol-6-yl] 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonate Openeye Name: [2-[3-(4-piperidyl)propanoylamino]-1,3-benzothiazol-6-yl] 4-[2-(isopropylamino)ethylamino]benzenesulfonate CAS Name: 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonic acid [2-[[1-oxo-3-(4-piperidinyl)propyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(3-piperidin-4-ylpropanoylamino)-1,3-benzothiazol-6-yl] 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonate Traditional Name: 4-[2-(isopropylamino)ethylamino]benzenesulfonic acid [2-[3-(4-piperidyl)propanoylamino]-1,3-benzothiazol-6-yl] ester Formula: C26H35N5O4S2 MolecularWeight: 545.7172

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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)CCC4CCNCC4

Isomeric SMILES

CC(C)NCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)CCC4CCNCC4

InChI

InChI=1S/C26H35N5O4S2/c1-18(2)28-15-16-29-20-4-7-22(8-5-20)37(33,34)35-21-6-9-23-24(17-21)36-26(30-23)31-25(32)10-3-19-11-13-27-14-12-19/h4-9,17-19,27-29H,3,10-16H2,1-2H3,(H,30,31,32)