naphthalen-1-ylmethyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: naphthalen-1-ylmethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 1-naphthylmethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 1-naphthylmethyl ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H25NO4S/c26-24(29-18-21-12-7-10-19-9-3-4-14-23(19)21)20-11-8-13-22(17-20)30(27,28)25-15-5-1-2-6-16-25/h3-4,7-14,17H,1-2,5-6,15-16,18H2