4-(azepan-1-ylsulfonyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(1R)-1-cyclopropylethyl]-methyl-amine Formula: C18H27N3O4S MolecularWeight: 381.48968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1CC1)N(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4S/c1-14(15-7-8-15)19(2)17-10-9-16(13-18(17)21(22)23)26(24,25)20-11-5-3-4-6-12-20/h9-10,13-15H,3-8,11-12H2,1-2H3/t14-/m1/s1