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

Systemtic Name: 2-[butylsulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]amino]ethanoic acid Openeye Name: 2-[butylsulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]amino]acetic acid CAS Name: 2-[butylsulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]amino]acetic acid IUPAC Name: 2-[butylsulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]amino]acetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]-butylsulfonyl-amino]acetic acid Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC(=O)O)C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCCCS(=O)(=O)N(CC(=O)O)C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C23H28N4O4S/c1-3-4-11-32(30,31)27(15-22(28)29)19-9-10-21-18(13-19)14-20(26(21)2)12-16-5-7-17(8-6-16)23(24)25/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,24,25)(H,28,29)