4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-[2-(phenylmethyl)phenyl]butanamide

Systemtic Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-[2-(phenylmethyl)phenyl]butanamide Openeye Name: N-(2-benzylphenyl)-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxo-butanamide CAS Name: 4-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxo-N-[2-(phenylmethyl)phenyl]butanamide IUPAC Name: N-(2-benzylphenyl)-4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(2-benzylphenyl)-4-keto-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butyramide Formula: C28H30N4O6S MolecularWeight: 550.626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O6S/c1-21-11-12-24(32(35)36)20-26(21)39(37,38)31-17-15-30(16-18-31)28(34)14-13-27(33)29-25-10-6-5-9-23(25)19-22-7-3-2-4-8-22/h2-12,20H,13-19H2,1H3,(H,29,33)