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

Systemtic Name: N-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-(4-chloro-3-nitro-phenyl)methyleneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-(4-chloro-3-nitro-benzylidene)amino]-3-pyrrolidinosulfonyl-benzamide Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5S/c19-16-7-6-13(10-17(16)23(25)26)12-20-21-18(24)14-4-3-5-15(11-14)29(27,28)22-8-1-2-9-22/h3-7,10-12H,1-2,8-9H2,(H,21,24)/b20-12+