N-[(E)-[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C=N/NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-16(13-17-7-3-2-4-8-17)15-21-22-19-10-9-18(14-20(19)24(25)26)29(27,28)23-11-5-6-12-23/h2-4,7-10,13-15,22H,5-6,11-12H2,1H3/b16-13+,21-15+