(1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide

Systemtic Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide Openeye Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylimidazol-1-yl)phenyl]cyclopropanecarboxamide CAS Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonyl-1-imidazolyl)phenyl]-1-cyclopropanecarboxamide IUPAC Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide Traditional Name: (1R,2S)-2-(3-amidinophenyl)-N-[4-(2-mesylimidazol-1-yl)phenyl]cyclopropanecarboxamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CC3C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@@H]3C[C@@H]3C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C21H21N5O3S/c1-30(28,29)21-24-9-10-26(21)16-7-5-15(6-8-16)25-20(27)18-12-17(18)13-3-2-4-14(11-13)19(22)23/h2-11,17-18H,12H2,1H3,(H3,22,23)(H,25,27)/t17-,18-/m1/s1