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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(4-ethoxybenzyl)-methyl-amine Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O5S/c1-3-30-19-10-8-18(9-11-19)17-23(2)21-13-12-20(16-22(21)25(26)27)31(28,29)24-14-6-4-5-7-15-24/h8-13,16H,3-7,14-15,17H2,1-2H3