4-(azepan-1-ylsulfonyl)-N-(dicyclopropylmethyl)-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(dicyclopropylmethyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(dicyclopropylmethyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-(dicyclopropylmethyl)-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(dicyclopropylmethyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(dicyclopropylmethyl)amine Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C3CC3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C3CC3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O4S/c23-22(24)18-13-16(27(25,26)21-11-3-1-2-4-12-21)9-10-17(18)20-19(14-5-6-14)15-7-8-15/h9-10,13-15,19-20H,1-8,11-12H2