2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-propylsulfonyl-amino]ethanoic acid hydrochloride

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-propylsulfonyl-amino]ethanoic acid hydrochloride Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-propylsulfonyl-amino]acetic acid hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]-propylsulfonylamino]acetic acid hydrochloride IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-propylsulfonylamino]acetic acid hydrochloride Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]-propylsulfonyl-amino]acetic acid hydrochloride Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC(=O)O)C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C.Cl

Isomeric SMILES

CCCS(=O)(=O)N(CC(=O)O)C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C.Cl

InChI

InChI=1S/C22H26N4O4S.ClH/c1-3-10-31(29,30)26(14-21(27)28)18-8-9-20-17(12-18)13-19(25(20)2)11-15-4-6-16(7-5-15)22(23)24;/h4-9,12-13H,3,10-11,14H2,1-2H3,(H3,23,24)(H,27,28);1H