2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoyl-methyl-carbamic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoyl-methyl-carbamic acid Openeye Name: [2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]-methyl-carbamic acid CAS Name: [2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]-(8-quinolinylsulfonyl)amino]-1-oxoethyl]-methylcarbamic acid IUPAC Name: [2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetyl]-methylcarbamic acid Traditional Name: [2-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]-methyl-carbamic acid Formula: C30H28N6O5S MolecularWeight: 584.64552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)N(C)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C=C1CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)N(C)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C=C1CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C30H28N6O5S/c1-34-24(15-19-8-10-21(11-9-19)29(31)32)17-22-16-23(12-13-25(22)34)36(18-27(37)35(2)30(38)39)42(40,41)26-7-3-5-20-6-4-14-33-28(20)26/h3-14,16-17H,15,18H2,1-2H3,(H3,31,32)(H,38,39)