4-butoxy-N-[2-(phenylsulfonylamino)-4-piperazin-1-yl-phenyl]benzenesulfonamide hydrochloride

Systemtic Name: 4-butoxy-N-[2-(phenylsulfonylamino)-4-piperazin-1-yl-phenyl]benzenesulfonamide hydrochloride Openeye Name: N-[2-(benzenesulfonamido)-4-piperazin-1-yl-phenyl]-4-butoxy-benzenesulfonamide hydrochloride CAS Name: N-[2-(benzenesulfonamido)-4-(1-piperazinyl)phenyl]-4-butoxybenzenesulfonamide hydrochloride IUPAC Name: N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-4-butoxybenzenesulfonamide hydrochloride Traditional Name: N-[2-(benzenesulfonamido)-4-piperazino-phenyl]-4-butoxy-benzenesulfonamide hydrochloride Formula: C26H33ClN4O5S2 MolecularWeight: 581.14702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CCNCC3)NS(=O)(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CCNCC3)NS(=O)(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H32N4O5S2.ClH/c1-2-3-19-35-22-10-12-24(13-11-22)37(33,34)28-25-14-9-21(30-17-15-27-16-18-30)20-26(25)29-36(31,32)23-7-5-4-6-8-23;/h4-14,20,27-29H,2-3,15-19H2,1H3;1H