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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-piperidin-3-yl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfonylcarbamoylamino)piperidin-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzenesulfonylcarbamoylamino)-2-oxo-1-piperidyl]-N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidyl]acetamide CAS Name: 2-[(3S)-3-[[benzenesulfonamido(oxo)methyl]amino]-2-oxo-1-piperidinyl]-N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidinyl]acetamide IUPAC Name: 2-[(3S)-3-(benzenesulfonylcarbamoylamino)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-ethoxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-ethoxy-3-piperidyl]-2-[(3S)-3-(besylcarbamoylamino)-2-keto-piperidino]acetamide Formula: C22H33N7O6S MolecularWeight: 523.60572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N7O6S/c1-2-35-20-17(11-7-13-29(20)21(23)24)25-18(30)14-28-12-6-10-16(19(28)31)26-22(32)27-36(33,34)15-8-4-3-5-9-15/h3-5,8-9,16-17,20H,2,6-7,10-14H2,1H3,(H3,23,24)(H,25,30)(H2,26,27,32)/t16-,17-,20?/m0/s1