N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-(4-mesylphenyl)ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-14(15-5-8-17(9-6-15)29(2,27)28)21-20(24)16-7-10-18(19(13-16)23(25)26)22-11-3-4-12-22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,24)