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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-piperidin-3-yl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfonylamino)piperidin-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzenesulfonamido)-2-oxo-1-piperidyl]-N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidyl]acetamide CAS Name: 2-[(3S)-3-(benzenesulfonamido)-2-oxo-1-piperidinyl]-N-[(3S)-1-carbamimidoyl-2-ethoxy-3-piperidinyl]acetamide IUPAC Name: 2-[(3S)-3-(benzenesulfonamido)-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-(benzenesulfonamido)-2-keto-piperidino]acetamide Formula: C21H32N6O5S MolecularWeight: 480.58098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O5S/c1-2-32-20-17(11-7-13-27(20)21(22)23)24-18(28)14-26-12-6-10-16(19(26)29)25-33(30,31)15-8-4-3-5-9-15/h3-5,8-9,16-17,20,25H,2,6-7,10-14H2,1H3,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1