1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N,N-dimethyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N,N-dimethyl-pyrrolidine-2-carboxamide Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N,N-dimethyl-pyrrolidine-2-carboxamide CAS Name: 1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-N,N-dimethyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-N,N-dimethylpyrrolidine-2-carboxamide Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N,N-dimethyl-pyrrolidine-2-carboxamide Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-20(2)19(24)17-8-7-13-22(17)16-10-9-15(14-18(16)23(25)26)29(27,28)21-11-5-3-4-6-12-21/h9-10,14,17H,3-8,11-13H2,1-2H3