N-(3-nitrophenyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(3-nitrophenyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3-nitrophenyl)butanamide CAS Name: N-(3-nitrophenyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3-nitrophenyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(3-nitrophenyl)butyramide Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c20-17(18-15-8-4-9-16(12-15)19(21)22)10-5-11-25(23,24)13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H,18,20)