quinolin-8-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: quinolin-8-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 8-quinolylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 8-quinolylmethyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=C2N=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=C2N=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O5S/c1-30-21-12-11-19(16-22(21)32(28,29)26-14-4-2-3-5-15-26)24(27)31-17-20-9-6-8-18-10-7-13-25-23(18)20/h6-13,16H,2-5,14-15,17H2,1H3