N-(2-butan-2-ylphenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide

Systemtic Name: N-(2-butan-2-ylphenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide Openeye Name: 4-methoxy-3-piperazin-1-yl-N-(2-sec-butylphenyl)benzenesulfonamide CAS Name: N-(2-butan-2-ylphenyl)-4-methoxy-3-(1-piperazinyl)benzenesulfonamide IUPAC Name: N-(2-butan-2-ylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide Traditional Name: 4-methoxy-3-piperazino-N-(2-sec-butylphenyl)benzenesulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)N3CCNCC3

Isomeric SMILES

CCC(C)C1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)N3CCNCC3

InChI

InChI=1S/C21H29N3O3S/c1-4-16(2)18-7-5-6-8-19(18)23-28(25,26)17-9-10-21(27-3)20(15-17)24-13-11-22-12-14-24/h5-10,15-16,22-23H,4,11-14H2,1-3H3