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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-piperidin-3-yl]-2-[(3S)-3-(naphthalen-1-ylsulfonylamino)-2-oxidanylidene-piperidin-1-yl]ethanamide Openeye Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidyl]-2-[(3S)-3-(1-naphthylsulfonylamino)-2-oxo-1-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidinyl]-2-[(3S)-3-(1-naphthalenylsulfonylamino)-2-oxo-1-piperidinyl]acetamide IUPAC Name: N-[(3S)-1-carbamimidoyl-2-ethoxypiperidin-3-yl]-2-[(3S)-3-(naphthalen-1-ylsulfonylamino)-2-oxopiperidin-1-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-ethoxy-3-piperidyl]-2-[(3S)-2-keto-3-(1-naphthylsulfonylamino)piperidino]acetamide Formula: C25H34N6O5S MolecularWeight: 530.63966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N)N)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1[C@H](CCCN1C(=N)N)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H34N6O5S/c1-2-36-24-20(12-7-15-31(24)25(26)27)28-22(32)16-30-14-6-11-19(23(30)33)29-37(34,35)21-13-5-9-17-8-3-4-10-18(17)21/h3-5,8-10,13,19-20,24,29H,2,6-7,11-12,14-16H2,1H3,(H3,26,27)(H,28,32)/t19-,20-,24?/m0/s1