[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H26N2O5S/c28-24(26-22-12-9-19-7-3-4-8-21(19)17-22)18-32-25(29)20-10-13-23(14-11-20)33(30,31)27-15-5-1-2-6-16-27/h3-4,7-14,17H,1-2,5-6,15-16,18H2,(H,26,28)