1,7,7-trimethyl-4-(3-nitrophenyl)sulfonyl-6,8-dihydro-5H-pyrazolo[4,3-b]azepine

Systemtic Name: 1,7,7-trimethyl-4-(3-nitrophenyl)sulfonyl-6,8-dihydro-5H-pyrazolo[4,3-b]azepine Openeye Name: 1,7,7-trimethyl-4-(3-nitrophenyl)sulfonyl-6,8-dihydro-5H-pyrazolo[4,3-b]azepine CAS Name: 1,7,7-trimethyl-4-(3-nitrophenyl)sulfonyl-6,8-dihydro-5H-pyrazolo[4,3-b]azepine IUPAC Name: 1,7,7-trimethyl-4-(3-nitrophenyl)sulfonyl-6,8-dihydro-5H-pyrazolo[4,3-b]azepine Traditional Name: 1,7,7-trimethyl-4-(3-nitrophenyl)sulfonyl-6,8-dihydro-5H-pyrazol[4,3-b]azepine Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C2=C(C1)N(N=C2)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCN(C2=C(C1)N(N=C2)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O4S/c1-16(2)7-8-19(15-11-17-18(3)14(15)10-16)25(23,24)13-6-4-5-12(9-13)20(21)22/h4-6,9,11H,7-8,10H2,1-3H3