[[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)butan-2-yl]amino] benzoate

Systemtic Name: [[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)butan-2-yl]amino] benzoate Openeye Name: [[2-methoxy-1-(3-quinolylmethylsulfonylmethyl)propyl]amino] benzoate CAS Name: benzoic acid [[3-methoxy-1-(3-quinolinylmethylsulfonyl)butan-2-yl]amino] ester IUPAC Name: [[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)butan-2-yl]amino] benzoate Traditional Name: benzoic acid [[2-methoxy-1-(3-quinolylmethylsulfonylmethyl)propyl]amino] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CS(=O)(=O)CC1=CC2=CC=CC=C2N=C1)NOC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C(CS(=O)(=O)CC1=CC2=CC=CC=C2N=C1)NOC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H24N2O5S/c1-16(28-2)21(24-29-22(25)18-8-4-3-5-9-18)15-30(26,27)14-17-12-19-10-6-7-11-20(19)23-13-17/h3-13,16,21,24H,14-15H2,1-2H3