N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[2-oxidanylidene-4-phenethyl-3-(phenylsulfonylamino)pyridin-1-yl]ethanamide

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[2-oxidanylidene-4-phenethyl-3-(phenylsulfonylamino)pyridin-1-yl]ethanamide Openeye Name: 2-[3-(benzenesulfonamido)-2-oxo-4-phenethyl-1-pyridyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: 2-[3-(benzenesulfonamido)-2-oxo-4-phenethyl-1-pyridinyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]acetamide IUPAC Name: 2-[3-(benzenesulfonamido)-2-oxo-4-phenethylpyridin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[3-(benzenesulfonamido)-2-keto-4-phenethyl-1-pyridyl]acetamide Formula: C27H32N6O5S MolecularWeight: 552.64518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=N)N)O)NC(=O)CN2C=CC(=C(C2=O)NS(=O)(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)CN2C=CC(=C(C2=O)NS(=O)(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N6O5S/c28-27(29)33-16-7-12-22(25(33)35)30-23(34)18-32-17-15-20(14-13-19-8-3-1-4-9-19)24(26(32)36)31-39(37,38)21-10-5-2-6-11-21/h1-6,8-11,15,17,22,25,31,35H,7,12-14,16,18H2,(H3,28,29)(H,30,34)/t22-,25?/m0/s1