2-butylsulfonylethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate dihydrochloride

Systemtic Name: 2-butylsulfonylethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate dihydrochloride Openeye Name: 2-butylsulfonylethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate dihydrochloride CAS Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetic acid 2-butylsulfonylethyl ester dihydrochloride IUPAC Name: 2-butylsulfonylethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate dihydrochloride Traditional Name: 2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetic acid 2-butylsulfonylethyl ester dihydrochloride Formula: C24H31Cl2N5O4S MolecularWeight: 556.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CCOC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CCCCS(=O)(=O)CCOC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C24H29N5O4S.2ClH/c1-2-3-11-34(31,32)12-10-33-21(30)14-19-18-9-8-17(24(27)28)13-20(18)29-22(19)15-4-6-16(7-5-15)23(25)26;;/h4-9,13,29H,2-3,10-12,14H2,1H3,(H3,25,26)(H3,27,28);2*1H