N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-3-pyrrolidinosulfonyl-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)/C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-14-8-9-16(13-19(14)24(26)27)15(2)21-22-20(25)17-6-5-7-18(12-17)30(28,29)23-10-3-4-11-23/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,25)/b21-15+