phenyl 4-(2-ethyl-4-propan-2-ylsulfonyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(2-ethyl-4-propan-2-ylsulfonyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(2-ethyl-4-isopropylsulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(2-ethyl-4-propan-2-ylsulfonylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-ethyl-4-propan-2-ylsulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(2-ethyl-4-isopropylsulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O5S2/c1-4-17-14-19(29(24,25)16(2)3)10-11-20(17)23-13-12-22-21(15-23)30(26,27)28-18-8-6-5-7-9-18/h5-11,14,16,21-22H,4,12-13,15H2,1-3H3