methyl (2S)-3-methanoyl-1-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2H-quinoline-6-carboxylate

Systemtic Name: methyl (2S)-3-methanoyl-1-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2H-quinoline-6-carboxylate Openeye Name: methyl (2S)-2-[3-(tert-butoxycarbonylamino)propyl]-3-formyl-1-(p-tolylsulfonyl)-2H-quinoline-6-carboxylate CAS Name: (2S)-3-formyl-1-(4-methylphenyl)sulfonyl-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-2H-quinoline-6-carboxylic acid methyl ester IUPAC Name: methyl (2S)-3-formyl-1-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2H-quinoline-6-carboxylate Traditional Name: (2S)-2-[3-(tert-butoxycarbonylamino)propyl]-3-formyl-1-tosyl-2H-quinoline-6-carboxylic acid methyl ester Formula: C27H32N2O7S MolecularWeight: 528.61718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=CC3=C2C=CC(=C3)C(=O)OC)C=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](C(=CC3=C2C=CC(=C3)C(=O)OC)C=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N2O7S/c1-18-8-11-22(12-9-18)37(33,34)29-23(7-6-14-28-26(32)36-27(2,3)4)21(17-30)16-20-15-19(25(31)35-5)10-13-24(20)29/h8-13,15-17,23H,6-7,14H2,1-5H3,(H,28,32)/t23-/m0/s1