[2-(2-azanylethanoyl)-3a-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-yl] carbamate

Systemtic Name: [2-(2-azanylethanoyl)-3a-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-yl] carbamate Openeye Name: [2-(2-aminoacetyl)-3a-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-yl] carbamate CAS Name: carbamic acid [2-(2-amino-1-oxoethyl)-3a-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-yl] ester IUPAC Name: [2-(2-aminoacetyl)-3a-(4-carbamimidoylphenyl)-1-ethylsulfonyl-3-methyl-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-yl] carbamate Traditional Name: carbamic acid [3a-(4-amidinophenyl)-1-esyl-2-glycyl-3-methyl-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-yl] ester Formula: C27H35N5O5S MolecularWeight: 541.6623

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C2CCCCC2(C(C1(C(=O)CN)OC(=O)N)(C)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCS(=O)(=O)N1C2CCCCC2(C(C1(C(=O)CN)OC(=O)N)(C)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H35N5O5S/c1-3-38(35,36)32-21-11-7-8-16-26(21,20-14-12-18(13-15-20)23(29)30)25(2,19-9-5-4-6-10-19)27(32,22(33)17-28)37-24(31)34/h4-6,9-10,12-15,21H,3,7-8,11,16-17,28H2,1-2H3,(H3,29,30)(H2,31,34)