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methyl 6-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]hexanoate

methyl 6-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]hexanoate

Systemtic Name:methyl 6-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]hexanoate
Openeye Name:methyl 6-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]hexanoate
CAS Name:6-[4-(1-azepanylsulfonyl)-2-nitroanilino]hexanoic acid methyl ester
IUPAC Name:methyl 6-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]hexanoate
Traditional Name:6-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]hexanoic acid methyl ester
Formula: C19H29N3O6S
MolecularWeight: 427.51506
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]


Isomeric SMILES

COC(=O)CCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]


InChI

InChI=1S/C19H29N3O6S/c1-28-19(23)9-5-4-6-12-20-17-11-10-16(15-18(17)22(24)25)29(26,27)21-13-7-2-3-8-14-21/h10-11,15,20H,2-9,12-14H2,1H3


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