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

Systemtic Name: phenyl 4-[2-(methylsulfanylamino)-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(methylsulfanylamino)-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-[(methylthio)amino]-1-(4-phenylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(methylsulfanylamino)-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-[(methylthio)amino]-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S2/c1-32-27-18-24(22-14-12-21(13-15-22)20-8-4-2-5-9-20)28-17-16-26-25(19-28)33(29,30)31-23-10-6-3-7-11-23/h2-15,24-27H,16-19H2,1H3