phenyl 3-ethyl-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 3-ethyl-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-ethyl-4-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 3-ethyl-4-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-ethyl-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 3-ethyl-4-(3-isopropylsulfonylpiperazino)benzenesulfonic 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)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

InChI

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