2-[(3S)-3-(butylsulfonylamino)-2-oxidanylidene-piperidin-1-yl]-N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]ethanamide

Systemtic Name: 2-[(3S)-3-(butylsulfonylamino)-2-oxidanylidene-piperidin-1-yl]-N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]ethanamide Openeye Name: 2-[(3S)-3-(butylsulfonylamino)-2-oxo-1-piperidyl]-N-[(1S)-3-carbamimidoyl-2-hydroxy-cyclohexyl]acetamide CAS Name: 2-[(3S)-3-(butylsulfonylamino)-2-oxo-1-piperidinyl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide IUPAC Name: 2-[(3S)-3-(butylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide Traditional Name: N-[(1S)-3-amidino-2-hydroxy-cyclohexyl]-2-[(3S)-3-(butylsulfonylamino)-2-keto-piperidino]acetamide Formula: C18H33N5O5S MolecularWeight: 431.55012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1CCCN(C1=O)CC(=O)NC2CCCC(C2O)C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)N[C@H]1CCCN(C1=O)CC(=O)N[C@H]2CCCC(C2O)C(=N)N

InChI

InChI=1S/C18H33N5O5S/c1-2-3-10-29(27,28)22-14-8-5-9-23(18(14)26)11-15(24)21-13-7-4-6-12(16(13)25)17(19)20/h12-14,16,22,25H,2-11H2,1H3,(H3,19,20)(H,21,24)/t12?,13-,14-,16?/m0/s1