N-butan-2-yl-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N-butan-2-yl-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-4-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(3-methoxyphenyl)piperazino]sulfonyl-N-sec-butyl-benzenesulfonamide Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H29N3O5S2/c1-4-17(2)22-30(25,26)20-8-10-21(11-9-20)31(27,28)24-14-12-23(13-15-24)18-6-5-7-19(16-18)29-3/h5-11,16-17,22H,4,12-15H2,1-3H3