phenyl 4-[2-(methylsulfanylamino)-1-[4-(phenylmethyl)phenyl]ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(methylsulfanylamino)-1-[4-(phenylmethyl)phenyl]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-benzylphenyl)-2-(methylsulfanylamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-[(methylthio)amino]-1-[4-(phenylmethyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-benzylphenyl)-2-(methylsulfanylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-benzylphenyl)-2-[(methylthio)amino]ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CSNCC(C1=CC=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSNCC(C1=CC=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3S2/c1-33-28-19-25(23-14-12-22(13-15-23)18-21-8-4-2-5-9-21)29-17-16-27-26(20-29)34(30,31)32-24-10-6-3-7-11-24/h2-15,25-28H,16-20H2,1H3