ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride Openeye Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetate hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetate hydrochloride Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester hydrochloride Formula: C30H30ClN5O4S MolecularWeight: 592.1083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

InChI

InChI=1S/C30H29N5O4S.ClH/c1-3-39-28(36)19-35(40(37,38)27-8-4-6-21-7-5-15-33-29(21)27)24-13-14-26-23(17-24)18-25(34(26)2)16-20-9-11-22(12-10-20)30(31)32;/h4-15,17-18H,3,16,19H2,1-2H3,(H3,31,32);1H