methyl 2-[5-imidazol-1-ylpent-1-ynyl(phenylsulfonyl)amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[5-imidazol-1-ylpent-1-ynyl(phenylsulfonyl)amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[benzenesulfonyl(5-imidazol-1-ylpent-1-ynyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[benzenesulfonyl-[5-(1-imidazolyl)pent-1-ynyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[benzenesulfonyl(5-imidazol-1-ylpent-1-ynyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[besyl(5-imidazol-1-ylpent-1-ynyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)N(C#CCCCN3C=CN=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)N(C#CCCCN3C=CN=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O4S/c1-34-26(31)25(18-21-19-28-24-13-7-6-12-23(21)24)30(35(32,33)22-10-4-2-5-11-22)16-9-3-8-15-29-17-14-27-20-29/h2,4-7,10-14,17,19-20,25,28H,3,8,15,18H2,1H3