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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-piperidin-3-yl]-2-[(3R)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]piperidin-1-yl]ethanamide Openeye Name: 2-[(3R)-3-(benzylsulfonylamino)-2-oxo-1-piperidyl]-N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidinyl]-2-[(3R)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-piperidinyl]acetamide IUPAC Name: 2-[(3R)-3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-ethoxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-ethoxy-3-piperidyl]-2-[(3R)-3-(benzylsulfonylamino)-2-keto-piperidino]acetamide Formula: C22H34N6O5S MolecularWeight: 494.60756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N)N)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1[C@H](CCCN1C(=N)N)NC(=O)CN2CCC[C@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H34N6O5S/c1-2-33-21-18(11-7-13-28(21)22(23)24)25-19(29)14-27-12-6-10-17(20(27)30)26-34(31,32)15-16-8-4-3-5-9-16/h3-5,8-9,17-18,21,26H,2,6-7,10-15H2,1H3,(H3,23,24)(H,25,29)/t17-,18+,21?/m1/s1