naphthalen-2-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: naphthalen-2-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 2-naphthyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 2-naphthyl ester Formula: C23H22ClNO4S MolecularWeight: 443.94308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)Cl

InChI

InChI=1S/C23H22ClNO4S/c24-21-12-10-19(16-22(21)30(27,28)25-13-5-1-2-6-14-25)23(26)29-20-11-9-17-7-3-4-8-18(17)15-20/h3-4,7-12,15-16H,1-2,5-6,13-14H2