N-prop-2-enyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-prop-2-enyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-allyl-3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: N-prop-2-enyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-allyl-3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H24N4O3S/c1-2-8-22-28(26,27)19-5-3-4-18(15-19)20(25)24-13-11-23(12-14-24)16-17-6-9-21-10-7-17/h2-7,9-10,15,22H,1,8,11-14,16H2