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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-piperidin-3-yl]-2-[2-oxidanylidene-3-(phenethylsulfonylamino)piperidin-1-yl]ethanamide Openeye Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidyl]-2-[2-oxo-3-(phenethylsulfonylamino)-1-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidinyl]-2-[2-oxo-3-(phenethylsulfonylamino)-1-piperidinyl]acetamide IUPAC Name: N-[(3S)-1-carbamimidoyl-2-ethoxypiperidin-3-yl]-2-[2-oxo-3-(phenethylsulfonylamino)piperidin-1-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-ethoxy-3-piperidyl]-2-[2-keto-3-(phenethylsulfonylamino)piperidino]acetamide Formula: C23H36N6O5S MolecularWeight: 508.63414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N)N)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC1[C@H](CCCN1C(=N)N)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H36N6O5S/c1-2-34-22-19(11-7-14-29(22)23(24)25)26-20(30)16-28-13-6-10-18(21(28)31)27-35(32,33)15-12-17-8-4-3-5-9-17/h3-5,8-9,18-19,22,27H,2,6-7,10-16H2,1H3,(H3,24,25)(H,26,30)/t18?,19-,22?/m0/s1