naphthalen-1-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: naphthalen-1-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 1-naphthylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 1-naphthylmethyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H27NO5S/c1-30-23-14-13-20(17-24(23)32(28,29)26-15-6-2-3-7-16-26)25(27)31-18-21-11-8-10-19-9-4-5-12-22(19)21/h4-5,8-14,17H,2-3,6-7,15-16,18H2,1H3