1-methyl-4-(3-nitrophenyl)sulfonyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine

Systemtic Name: 1-methyl-4-(3-nitrophenyl)sulfonyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine Openeye Name: 1-methyl-4-(3-nitrophenyl)sulfonyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine CAS Name: 1-methyl-4-(3-nitrophenyl)sulfonyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine IUPAC Name: 1-methyl-4-(3-nitrophenyl)sulfonyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine Traditional Name: 1-methyl-4-(3-nitrophenyl)sulfonyl-5,6,7,8-tetrahydropyrazol[4,3-b]azepine Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)N(CCCC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)N(CCCC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4S/c1-16-13-7-2-3-8-17(14(13)10-15-16)23(21,22)12-6-4-5-11(9-12)18(19)20/h4-6,9-10H,2-3,7-8H2,1H3