N-[(5-carbamimidoylthiophen-2-yl)methyl]-1-[2-(methylsulfonylamino)-3,3-diphenyl-propanoyl]azetidine-2-carboxamide

Systemtic Name: N-[(5-carbamimidoylthiophen-2-yl)methyl]-1-[2-(methylsulfonylamino)-3,3-diphenyl-propanoyl]azetidine-2-carboxamide Openeye Name: N-[(5-carbamimidoyl-2-thienyl)methyl]-1-[2-(methanesulfonamido)-3,3-diphenyl-propanoyl]azetidine-2-carboxamide CAS Name: N-[(5-carbamimidoyl-2-thiophenyl)methyl]-1-[2-(methanesulfonamido)-1-oxo-3,3-diphenylpropyl]-2-azetidinecarboxamide IUPAC Name: N-[(5-carbamimidoylthiophen-2-yl)methyl]-1-[2-(methanesulfonamido)-3,3-diphenylpropanoyl]azetidine-2-carboxamide Traditional Name: N-[(5-amidino-2-thienyl)methyl]-1-[2-(methanesulfonamido)-3,3-diphenyl-propanoyl]azetidine-2-carboxamide Formula: C26H29N5O4S2 MolecularWeight: 539.66956

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCC3C(=O)NCC4=CC=C(S4)C(=N)N

Isomeric SMILES

CS(=O)(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCC3C(=O)NCC4=CC=C(S4)C(=N)N

InChI

InChI=1S/C26H29N5O4S2/c1-37(34,35)30-23(22(17-8-4-2-5-9-17)18-10-6-3-7-11-18)26(33)31-15-14-20(31)25(32)29-16-19-12-13-21(36-19)24(27)28/h2-13,20,22-23,30H,14-16H2,1H3,(H3,27,28)(H,29,32)