4-[(1S)-1-azanyl-2-[cyclobutyl(methyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfonylphenyl)cyclohexane-1-carboxamide

Systemtic Name: 4-[(1S)-1-azanyl-2-[cyclobutyl(methyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfonylphenyl)cyclohexane-1-carboxamide Openeye Name: 4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxo-ethyl]-N-(2-methylsulfonylphenyl)cyclohexanecarboxamide CAS Name: 4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]-N-(2-methylsulfonylphenyl)-1-cyclohexanecarboxamide IUPAC Name: 4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]-N-(2-methylsulfonylphenyl)cyclohexane-1-carboxamide Traditional Name: 4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-keto-ethyl]-N-(2-mesylphenyl)cyclohexanecarboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC1)C(=O)C(C2CCC(CC2)C(=O)NC3=CC=CC=C3S(=O)(=O)C)N

Isomeric SMILES

CN(C1CCC1)C(=O)[C@H](C2CCC(CC2)C(=O)NC3=CC=CC=C3S(=O)(=O)C)N

InChI

InChI=1S/C21H31N3O4S/c1-24(16-6-5-7-16)21(26)19(22)14-10-12-15(13-11-14)20(25)23-17-8-3-4-9-18(17)29(2,27)28/h3-4,8-9,14-16,19H,5-7,10-13,22H2,1-2H3,(H,23,25)/t14?,15?,19-/m0/s1