N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propan-2-yl-pyrrol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propan-2-yl-pyrrol-2-yl]-3-nitro-benzamide Openeye Name: N-[3-(benzenesulfonyl)-1-isopropyl-4,5-dimethyl-pyrrol-2-yl]-3-nitro-benzamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propan-2-yl-2-pyrrolyl]-3-nitrobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-3-nitrobenzamide Traditional Name: N-(3-besyl-1-isopropyl-4,5-dimethyl-pyrrol-2-yl)-3-nitro-benzamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C)C

InChI

InChI=1S/C22H23N3O5S/c1-14(2)24-16(4)15(3)20(31(29,30)19-11-6-5-7-12-19)21(24)23-22(26)17-9-8-10-18(13-17)25(27)28/h5-14H,1-4H3,(H,23,26)