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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]piperidin-1-yl]ethanamide Openeye Name: 2-[3-(benzylsulfonylamino)-2-oxo-1-piperidyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[2-oxo-3-[(phenylmethyl)sulfonylamino]-1-piperidinyl]acetamide IUPAC Name: 2-[3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[3-(benzylsulfonylamino)-2-keto-piperidino]acetamide Formula: C20H30N6O5S MolecularWeight: 466.5544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=N)N)O)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/s1