4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(m-tolyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-(3-methylphenyl)-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(m-tolyl)amine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-15-7-6-8-16(13-15)20-18-10-9-17(14-19(18)22(23)24)27(25,26)21-11-4-2-3-5-12-21/h6-10,13-14,20H,2-5,11-12H2,1H3