N-(4-carbamimidoylphenyl)-1-[2-(ethylsulfonylamino)-3-phenyl-propanoyl]-N-methyl-indole-2-carboxamide

Systemtic Name: N-(4-carbamimidoylphenyl)-1-[2-(ethylsulfonylamino)-3-phenyl-propanoyl]-N-methyl-indole-2-carboxamide Openeye Name: N-(4-carbamimidoylphenyl)-1-[2-(ethylsulfonylamino)-3-phenyl-propanoyl]-N-methyl-indole-2-carboxamide CAS Name: N-(4-carbamimidoylphenyl)-1-[2-(ethylsulfonylamino)-1-oxo-3-phenylpropyl]-N-methyl-2-indolecarboxamide IUPAC Name: N-(4-carbamimidoylphenyl)-1-[2-(ethylsulfonylamino)-3-phenylpropanoyl]-N-methylindole-2-carboxamide Traditional Name: N-(4-amidinophenyl)-1-[2-(esylamino)-3-phenyl-propanoyl]-N-methyl-indole-2-carboxamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3C=C2C(=O)N(C)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3C=C2C(=O)N(C)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H29N5O4S/c1-3-38(36,37)31-23(17-19-9-5-4-6-10-19)27(34)33-24-12-8-7-11-21(24)18-25(33)28(35)32(2)22-15-13-20(14-16-22)26(29)30/h4-16,18,23,31H,3,17H2,1-2H3,(H3,29,30)