N-[(4-carbamimidoylthiophen-2-yl)methyl]-1-[2-(methylsulfonylamino)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylthiophen-2-yl)methyl]-1-[2-(methylsulfonylamino)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-2-thienyl)methyl]-1-[2-(methanesulfonamido)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-2-thiophenyl)methyl]-1-[2-(methanesulfonamido)-1-oxo-3,3-diphenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylthiophen-2-yl)methyl]-1-[2-(methanesulfonamido)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(4-amidino-2-thienyl)methyl]-1-[2-(methanesulfonamido)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C27H31N5O4S2 MolecularWeight: 553.69614

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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)N3CCCC3C(=O)NCC4=CC(=CS4)C(=N)N

Isomeric SMILES

CS(=O)(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC(=CS4)C(=N)N

InChI

InChI=1S/C27H31N5O4S2/c1-38(35,36)31-24(23(18-9-4-2-5-10-18)19-11-6-3-7-12-19)27(34)32-14-8-13-22(32)26(33)30-16-21-15-20(17-37-21)25(28)29/h2-7,9-12,15,17,22-24,31H,8,13-14,16H2,1H3,(H3,28,29)(H,30,33)