quinolin-8-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: quinolin-8-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 8-quinolyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 8-quinolyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC4=C3N=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC4=C3N=CC=C4)Cl

InChI

InChI=1S/C22H21ClN2O4S/c23-18-11-10-17(15-20(18)30(27,28)25-13-3-1-2-4-14-25)22(26)29-19-9-5-7-16-8-6-12-24-21(16)19/h5-12,15H,1-4,13-14H2