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

Systemtic Name: methyl 3-(3-azanylpiperidin-1-yl)sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[(3-amino-1-piperidyl)sulfonyl]-4-methyl-benzoate CAS Name: 3-[(3-amino-1-piperidinyl)sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(3-aminopiperidin-1-yl)sulfonyl-4-methylbenzoate Traditional Name: 3-(3-aminopiperidino)sulfonyl-4-methyl-benzoic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCC(C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCC(C2)N

InChI

InChI=1S/C14H20N2O4S/c1-10-5-6-11(14(17)20-2)8-13(10)21(18,19)16-7-3-4-12(15)9-16/h5-6,8,12H,3-4,7,9,15H2,1-2H3