N-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-[4-(methylamino)-3-nitro-phenyl]methyleneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-[4-(methylamino)-3-nitro-benzylidene]amino]-3-pyrrolidinosulfonyl-benzamide Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S/c1-20-17-8-7-14(11-18(17)24(26)27)13-21-22-19(25)15-5-4-6-16(12-15)30(28,29)23-9-2-3-10-23/h4-8,11-13,20H,2-3,9-10H2,1H3,(H,22,25)/b21-13+