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

Systemtic Name: phenyl 4-[2-(propan-2-ylsulfonylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(isopropylsulfonylamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(propan-2-ylsulfonylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(propan-2-ylsulfonylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(isopropylsulfonylamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H35N3O7S3 MolecularWeight: 573.7456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C24H35N3O7S3/c1-18(2)35(28,29)22-12-10-20(11-13-22)23(16-26-36(30,31)19(3)4)27-15-14-25-24(17-27)37(32,33)34-21-8-6-5-7-9-21/h5-13,18-19,23-26H,14-17H2,1-4H3