N-[3-methoxy-4-(methylsulfonylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-methoxy-4-(methylsulfonylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(methanesulfonamido)-3-methoxy-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(methanesulfonamido)-3-methoxy-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])NS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])NS(=O)(=O)C

InChI

InChI=1S/C19H22N4O6S/c1-29-18-12-14(6-7-15(18)21-30(2,27)28)20-19(24)13-5-8-16(17(11-13)23(25)26)22-9-3-4-10-22/h5-8,11-12,21H,3-4,9-10H2,1-2H3,(H,20,24)