4-(azepan-1-ylsulfonyl)-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c23-22(24)18-12-16(27(25,26)21-10-3-1-2-4-11-21)7-8-17(18)20-14-15-6-5-9-19-13-15/h5-9,12-13,20H,1-4,10-11,14H2