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

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-[4-(phenylmethyl)phenyl]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-benzylphenyl)-2-(ethoxyamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxyamino)-1-[4-(phenylmethyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-benzylphenyl)-2-(ethoxyamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-benzylphenyl)-2-(ethoxyamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4S/c1-2-33-29-20-26(24-15-13-23(14-16-24)19-22-9-5-3-6-10-22)30-18-17-28-27(21-30)35(31,32)34-25-11-7-4-8-12-25/h3-16,26-29H,2,17-21H2,1H3