1-(3-chlorophenyl)piperazine; 6-(phenylmethoxycarbonylamino)-2-(sulfonylamino)hexanoic acid

Systemtic Name: 1-(3-chlorophenyl)piperazine; 6-(phenylmethoxycarbonylamino)-2-(sulfonylamino)hexanoic acid Openeye Name: 6-(benzyloxycarbonylamino)-2-(sulfonylamino)hexanoic acid; 1-(3-chlorophenyl)piperazine CAS Name: 1-(3-chlorophenyl)piperazine; 6-(phenylmethoxycarbonylamino)-2-(sulfonylamino)hexanoic acid IUPAC Name: 1-(3-chlorophenyl)piperazine; 6-(phenylmethoxycarbonylamino)-2-(sulfonylamino)hexanoic acid Traditional Name: 6-(benzyloxycarbonylamino)-2-(sulfonylamino)hexanoic acid; 1-(3-chlorophenyl)piperazine Formula: C24H31ClN4O6S MolecularWeight: 539.04414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=CC=C2)Cl.C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)O)N=S(=O)=O

Isomeric SMILES

C1CN(CCN1)C2=CC(=CC=C2)Cl.C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)O)N=S(=O)=O

InChI

InChI=1S/C14H18N2O6S.C10H13ClN2/c17-13(18)12(16-23(20)21)8-4-5-9-15-14(19)22-10-11-6-2-1-3-7-11;11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,6-7,12H,4-5,8-10H2,(H,15,19)(H,17,18);1-3,8,12H,4-7H2