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

Systemtic Name: naphthalen-1-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 1-naphthylmethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

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

InChI

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