1-(3-carbamimidoylphenyl)-4-methyl-N-[4-(2-methylsulfonylphenoxy)phenyl]pyrrole-2-carboxamide

Systemtic Name: 1-(3-carbamimidoylphenyl)-4-methyl-N-[4-(2-methylsulfonylphenoxy)phenyl]pyrrole-2-carboxamide Openeye Name: 1-(3-carbamimidoylphenyl)-4-methyl-N-[4-(2-methylsulfonylphenoxy)phenyl]pyrrole-2-carboxamide CAS Name: 1-(3-carbamimidoylphenyl)-4-methyl-N-[4-(2-methylsulfonylphenoxy)phenyl]-2-pyrrolecarboxamide IUPAC Name: 1-(3-carbamimidoylphenyl)-4-methyl-N-[4-(2-methylsulfonylphenoxy)phenyl]pyrrole-2-carboxamide Traditional Name: 1-(3-amidinophenyl)-N-[4-(2-mesylphenoxy)phenyl]-4-methyl-pyrrole-2-carboxamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3S(=O)(=O)C)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=CN(C(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3S(=O)(=O)C)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H24N4O4S/c1-17-14-22(30(16-17)20-7-5-6-18(15-20)25(27)28)26(31)29-19-10-12-21(13-11-19)34-23-8-3-4-9-24(23)35(2,32)33/h3-16H,1-2H3,(H3,27,28)(H,29,31)