2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 6-(benzyloxycarbonylamino)-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]hexanoic acid CAS Name: 2-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 6-(benzyloxycarbonylamino)-2-[[4-(4-chlorophenyl)piperazino]sulfonylamino]hexanoic acid Formula: C24H31ClN4O6S MolecularWeight: 539.04414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H31ClN4O6S/c25-20-9-11-21(12-10-20)28-14-16-29(17-15-28)36(33,34)27-22(23(30)31)8-4-5-13-26-24(32)35-18-19-6-2-1-3-7-19/h1-3,6-7,9-12,22,27H,4-5,8,13-18H2,(H,26,32)(H,30,31)