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methyl 3-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]butanoate

methyl 3-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]butanoate

Systemtic Name:methyl 3-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]butanoate
Openeye Name:methyl 3-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]butanoate
CAS Name:3-[4-(1-azepanylsulfonyl)-2-nitroanilino]butanoic acid methyl ester
IUPAC Name:methyl 3-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]butanoate
Traditional Name:3-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]butyric acid methyl ester
Formula: C17H25N3O6S
MolecularWeight: 399.4619
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H25N3O6S/c1-13(11-17(21)26-2)18-15-8-7-14(12-16(15)20(22)23)27(24,25)19-9-5-3-4-6-10-19/h7-8,12-13,18H,3-6,9-11H2,1-2H3


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