4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-pyridin-2-ylethyl)aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-pyridin-2-ylethyl)aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[2-(2-pyridyl)ethyl]aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-[2-(2-pyridinyl)ethyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-pyridin-2-ylethyl)aniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[2-(2-pyridyl)ethyl]amine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c24-23(25)19-15-17(28(26,27)22-13-5-1-2-6-14-22)8-9-18(19)21-12-10-16-7-3-4-11-20-16/h3-4,7-9,11,15,21H,1-2,5-6,10,12-14H2