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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(cyclopropylmethyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(cyclopropylmethyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-(cyclopropylmethyl)-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(cyclopropylmethyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(cyclopropylmethyl)amine Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4S/c20-19(21)16-11-14(7-8-15(16)17-12-13-5-6-13)24(22,23)18-9-3-1-2-4-10-18/h7-8,11,13,17H,1-6,9-10,12H2