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

Systemtic Name: 4-(3-methylphenoxy)-3-oxidanyl-N-phenyl-N-piperazin-1-yl-butane-1-sulfonamide Openeye Name: 3-hydroxy-4-(3-methylphenoxy)-N-phenyl-N-piperazin-1-yl-butane-1-sulfonamide CAS Name: 3-hydroxy-4-(3-methylphenoxy)-N-phenyl-N-(1-piperazinyl)-1-butanesulfonamide IUPAC Name: 3-hydroxy-4-(3-methylphenoxy)-N-phenyl-N-piperazin-1-ylbutane-1-sulfonamide Traditional Name: 3-hydroxy-4-(3-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=C1)OCC(CCS(=O)(=O)N(C2=CC=CC=C2)N3CCNCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CCS(=O)(=O)N(C2=CC=CC=C2)N3CCNCC3)O

InChI

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