methyl 1-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(4-cyanophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1(CCCCC1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(CC(=O)NC1(CCCCC1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H23N3O5S/c1-21(27(24,25)15-8-6-14(12-19)7-9-15)13-16(22)20-18(17(23)26-2)10-4-3-5-11-18/h6-9H,3-5,10-11,13H2,1-2H3,(H,20,22)