(2R)-2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2R)-2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-4-methyl-pentanoic acid Openeye Name: (2R)-2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-4-methyl-pentanoic acid CAS Name: (2R)-2-[4-(1-azepanylsulfonyl)-2-nitroanilino]-4-methylpentanoic acid IUPAC Name: (2R)-2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-4-methylpentanoic acid Traditional Name: (2R)-2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-4-methyl-valeric acid Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@H](C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O6S/c1-13(2)11-16(18(22)23)19-15-8-7-14(12-17(15)21(24)25)28(26,27)20-9-5-3-4-6-10-20/h7-8,12-13,16,19H,3-6,9-11H2,1-2H3,(H,22,23)/t16-/m1/s1