4-(azepan-1-ylsulfonyl)-N-[3-(2-methylpropoxy)propyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-methylpropoxy)propyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-isobutoxypropyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[3-(2-methylpropoxy)propyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-methylpropoxy)propyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(3-isobutoxypropyl)amine Formula: C19H31N3O5S MolecularWeight: 413.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H31N3O5S/c1-16(2)15-27-13-7-10-20-18-9-8-17(14-19(18)22(23)24)28(25,26)21-11-5-3-4-6-12-21/h8-9,14,16,20H,3-7,10-13,15H2,1-2H3