N-(2-azanylethanoyl)-3-(4-carbamimidoylphenyl)-1-ethylsulfonyl-2-methyl-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxamide

Systemtic Name: N-(2-azanylethanoyl)-3-(4-carbamimidoylphenyl)-1-ethylsulfonyl-2-methyl-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxamide Openeye Name: N-(2-aminoacetyl)-3-(4-carbamimidoylphenyl)-1-ethylsulfonyl-2-methyl-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxamide CAS Name: N-(2-amino-1-oxoethyl)-3-(4-carbamimidoylphenyl)-1-ethylsulfonyl-2-methyl-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxamide IUPAC Name: N-(2-aminoacetyl)-3-(4-carbamimidoylphenyl)-1-ethylsulfonyl-2-methyl-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxamide Traditional Name: 3-(4-amidinophenyl)-1-esyl-N-glycyl-2-methyl-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxamide Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C2CCCCC2C(C1(C)C(=O)N(C3=CC=CC=C3)C(=O)CN)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCS(=O)(=O)N1C2CCCCC2C(C1(C)C(=O)N(C3=CC=CC=C3)C(=O)CN)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H35N5O4S/c1-3-37(35,36)32-22-12-8-7-11-21(22)24(18-13-15-19(16-14-18)25(29)30)27(32,2)26(34)31(23(33)17-28)20-9-5-4-6-10-20/h4-6,9-10,13-16,21-22,24H,3,7-8,11-12,17,28H2,1-2H3,(H3,29,30)