4-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-(2-methylcyclohexyl)-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(2-methylcyclohexyl)amine Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCC1NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H29N3O4S/c1-15-8-4-5-9-17(15)20-18-11-10-16(14-19(18)22(23)24)27(25,26)21-12-6-2-3-7-13-21/h10-11,14-15,17,20H,2-9,12-13H2,1H3