N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-nitro-pyridin-2-amine

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-nitro-pyridin-2-amine Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-nitro-pyridin-2-amine CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-nitro-2-pyridinamine IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-nitropyridin-2-amine Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(5-nitro-2-pyridyl)amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N4O4S/c1-14-6-7-15(20-18-9-8-16(13-19-18)22(23)24)12-17(14)27(25,26)21-10-4-2-3-5-11-21/h6-9,12-13H,2-5,10-11H2,1H3,(H,19,20)