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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-29-18-8-6-17(7-9-18)12-13-22-20-11-10-19(16-21(20)24(25)26)30(27,28)23-14-4-2-3-5-15-23/h6-11,16,22H,2-5,12-15H2,1H3