4-(azepan-1-ylsulfonyl)-N-[1-(2-methoxyphenyl)ethyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[1-(2-methoxyphenyl)ethyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[1-(2-methoxyphenyl)ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[1-(2-methoxyphenyl)ethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[1-(2-methoxyphenyl)ethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[1-(2-methoxyphenyl)ethyl]amine Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-16(18-9-5-6-10-21(18)29-2)22-19-12-11-17(15-20(19)24(25)26)30(27,28)23-13-7-3-4-8-14-23/h5-6,9-12,15-16,22H,3-4,7-8,13-14H2,1-2H3