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

Systemtic Name: N-(2-methylpropyl)-4-nitro-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-isobutyl-4-nitro-benzenesulfonamide CAS Name: N-(2-methylpropyl)-4-nitro-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide Traditional Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-isobutyl-4-nitro-benzenesulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-18(2)15-24(30(28,29)22-12-10-20(11-13-22)25(26)27)17-21-9-6-14-23(21)16-19-7-4-3-5-8-19/h3-14,18H,15-17H2,1-2H3