methyl 3-azanyl-4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: methyl 3-azanyl-4-(azepan-1-ylsulfonyl)benzoate Openeye Name: methyl 3-amino-4-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-amino-4-(1-azepanylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-amino-4-(azepan-1-ylsulfonyl)benzoic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCCCC2)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCCCC2)N

InChI

InChI=1S/C14H20N2O4S/c1-20-14(17)11-6-7-13(12(15)10-11)21(18,19)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,15H2,1H3