phenyl 4-[2-[(phenylmethyl)sulfonylamino]-5-propyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-[(phenylmethyl)sulfonylamino]-5-propyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-[(phenylmethyl)sulfonylamino]-5-propylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylsulfonylamino)-5-propylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O5S2/c1-2-9-21-14-15-24(28-35(30,31)20-22-10-5-3-6-11-22)25(18-21)29-17-16-27-26(19-29)36(32,33)34-23-12-7-4-8-13-23/h3-8,10-15,18,26-28H,2,9,16-17,19-20H2,1H3