N-(2-azanylethanoyl)-4-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-N-phenyl-indole-2-carboxamide

Systemtic Name: N-(2-azanylethanoyl)-4-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-N-phenyl-indole-2-carboxamide Openeye Name: N-(2-aminoacetyl)-4-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-N-phenyl-indole-2-carboxamide CAS Name: N-(2-amino-1-oxoethyl)-4-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-N-phenyl-2-indolecarboxamide IUPAC Name: N-(2-aminoacetyl)-4-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-N-phenylindole-2-carboxamide Traditional Name: 4-(4-amidinophenyl)-1-esyl-N-glycyl-3-methyl-N-phenyl-indole-2-carboxamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C2=CC=CC(=C2C(=C1C(=O)N(C3=CC=CC=C3)C(=O)CN)C)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCS(=O)(=O)N1C2=CC=CC(=C2C(=C1C(=O)N(C3=CC=CC=C3)C(=O)CN)C)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O4S/c1-3-37(35,36)32-22-11-7-10-21(18-12-14-19(15-13-18)26(29)30)24(22)17(2)25(32)27(34)31(23(33)16-28)20-8-5-4-6-9-20/h4-15H,3,16,28H2,1-2H3,(H3,29,30)