4-nitro-N-pentyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide

Systemtic Name: 4-nitro-N-pentyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-nitro-N-pentyl-benzenesulfonamide CAS Name: 4-nitro-N-pentyl-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-nitro-N-pentylbenzenesulfonamide Traditional Name: N-amyl-N-[(1-benzylpyrrol-2-yl)methyl]-4-nitro-benzenesulfonamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O4S/c1-2-3-7-17-25(31(29,30)23-14-12-21(13-15-23)26(27)28)19-22-11-8-16-24(22)18-20-9-5-4-6-10-20/h4-6,8-16H,2-3,7,17-19H2,1H3