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

Systemtic Name: phenyl 4-[2-[(phenylmethyl)amino]-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-[(phenylmethyl)amino]-1-(4-propylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O3S/c1-2-9-23-14-16-25(17-15-23)27(21-29-20-24-10-5-3-6-11-24)31-19-18-30-28(22-31)35(32,33)34-26-12-7-4-8-13-26/h3-8,10-17,27-30H,2,9,18-22H2,1H3