phenyl 4-(3-methoxypiperazin-1-yl)-3-(2-methylpropyl)benzenesulfonate

Systemtic Name: phenyl 4-(3-methoxypiperazin-1-yl)-3-(2-methylpropyl)benzenesulfonate Openeye Name: phenyl 3-isobutyl-4-(3-methoxypiperazin-1-yl)benzenesulfonate CAS Name: 4-(3-methoxy-1-piperazinyl)-3-(2-methylpropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-methoxypiperazin-1-yl)-3-(2-methylpropyl)benzenesulfonate Traditional Name: 3-isobutyl-4-(3-methoxypiperazino)benzenesulfonic acid phenyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)OC

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)OC

InChI

InChI=1S/C21H28N2O4S/c1-16(2)13-17-14-19(28(24,25)27-18-7-5-4-6-8-18)9-10-20(17)23-12-11-22-21(15-23)26-3/h4-10,14,16,21-22H,11-13,15H2,1-3H3