methyl 3-(3-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-benzoate

Systemtic Name: methyl 3-(3-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-benzoate Openeye Name: methyl 3-[(3-amino-1-piperidyl)sulfonyl]-4-chloro-benzoate CAS Name: 3-[(3-amino-1-piperidinyl)sulfonyl]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(3-aminopiperidin-1-yl)sulfonyl-4-chlorobenzoate Traditional Name: 3-(3-aminopiperidino)sulfonyl-4-chloro-benzoic acid methyl ester Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)N

InChI

InChI=1S/C13H17ClN2O4S/c1-20-13(17)9-4-5-11(14)12(7-9)21(18,19)16-6-2-3-10(15)8-16/h4-5,7,10H,2-3,6,8,15H2,1H3