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

Systemtic Name: phenyl 4-[1-(4-phenylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(isopropylsulfonylamino)-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-phenylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-phenylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(isopropylsulfonylamino)-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C27H33N3O5S2 MolecularWeight: 543.69802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5S2/c1-21(2)36(31,32)29-19-26(24-15-13-23(14-16-24)22-9-5-3-6-10-22)30-18-17-28-27(20-30)37(33,34)35-25-11-7-4-8-12-25/h3-16,21,26-29H,17-20H2,1-2H3