N-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: N-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: N-[3-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-[4-(4-cyanobenzyl)piperazino]-3-keto-propyl]benzenesulfonamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c22-16-18-6-8-19(9-7-18)17-24-12-14-25(15-13-24)21(26)10-11-23-29(27,28)20-4-2-1-3-5-20/h1-9,23H,10-15,17H2