3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-N-propyl-benzenesulfonamide

Systemtic Name: 3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-N-propyl-benzenesulfonamide Openeye Name: 3-(4-benzylsulfonylpiperazine-1-carbonyl)-N-propyl-benzenesulfonamide CAS Name: 3-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-N-propylbenzenesulfonamide IUPAC Name: 3-(4-benzylsulfonylpiperazine-1-carbonyl)-N-propylbenzenesulfonamide Traditional Name: 3-(4-benzylsulfonylpiperazine-1-carbonyl)-N-propyl-benzenesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O5S2/c1-2-11-22-31(28,29)20-10-6-9-19(16-20)21(25)23-12-14-24(15-13-23)30(26,27)17-18-7-4-3-5-8-18/h3-10,16,22H,2,11-15,17H2,1H3