4-(2-methylphenoxy)-3-oxidanyl-N-phenyl-N-piperazin-1-yl-butane-1-sulfonamide

Systemtic Name: 4-(2-methylphenoxy)-3-oxidanyl-N-phenyl-N-piperazin-1-yl-butane-1-sulfonamide Openeye Name: 3-hydroxy-4-(2-methylphenoxy)-N-phenyl-N-piperazin-1-yl-butane-1-sulfonamide CAS Name: 3-hydroxy-4-(2-methylphenoxy)-N-phenyl-N-(1-piperazinyl)-1-butanesulfonamide IUPAC Name: 3-hydroxy-4-(2-methylphenoxy)-N-phenyl-N-piperazin-1-ylbutane-1-sulfonamide Traditional Name: 3-hydroxy-4-(2-methylphenoxy)-N-phenyl-N-piperazino-butane-1-sulfonamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CCS(=O)(=O)N(C2=CC=CC=C2)N3CCNCC3)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CCS(=O)(=O)N(C2=CC=CC=C2)N3CCNCC3)O

InChI

InChI=1S/C21H29N3O4S/c1-18-7-5-6-10-21(18)28-17-20(25)11-16-29(26,27)24(19-8-3-2-4-9-19)23-14-12-22-13-15-23/h2-10,20,22,25H,11-17H2,1H3