4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-m-anisyl-methyl-amine Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-22(16-17-8-7-9-18(14-17)29-2)20-11-10-19(15-21(20)24(25)26)30(27,28)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13,16H2,1-2H3