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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfamoylamino)azepan-1-yl]ethanamide Openeye Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]-2-[(3S)-2-oxo-3-(phenylsulfamoylamino)azepan-1-yl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[(3S)-2-oxo-3-(phenylsulfamoylamino)-1-azepanyl]acetamide IUPAC Name: N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-2-[(3S)-2-oxo-3-(phenylsulfamoylamino)azepan-1-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[(3S)-2-keto-3-(phenylsulfamoylamino)azepan-1-yl]acetamide Formula: C20H31N7O5S MolecularWeight: 481.56904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)NC2=CC=CC=C2)CC(=O)NC3CCCN(C3O)C(=N)N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)NC2=CC=CC=C2)CC(=O)N[C@H]3CCCN(C3O)C(=N)N

InChI

InChI=1S/C20H31N7O5S/c21-20(22)27-12-6-10-15(19(27)30)23-17(28)13-26-11-5-4-9-16(18(26)29)25-33(31,32)24-14-7-2-1-3-8-14/h1-3,7-8,15-16,19,24-25,30H,4-6,9-13H2,(H3,21,22)(H,23,28)/t15-,16-,19?/m0/s1