N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-27-17-8-7-15(28(25,26)20-9-2-3-10-20)12-16(17)19-18(22)13-5-4-6-14(11-13)21(23)24/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,22)