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

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[phenylsulfonyl(prop-2-ynyl)amino]propanoate Openeye Name: methyl 2-[benzenesulfonyl(prop-2-ynyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[benzenesulfonyl(prop-2-ynyl)amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[benzenesulfonyl(prop-2-ynyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[besyl(propargyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-3-13-23(28(25,26)17-9-5-4-6-10-17)20(21(24)27-2)14-16-15-22-19-12-8-7-11-18(16)19/h1,4-12,15,20,22H,13-14H2,2H3