[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCC4=CC=CC=C34

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCC4=CC=CC=C34

InChI

InChI=1S/C25H30N2O5S/c28-24(26-23-11-7-9-19-8-3-4-10-22(19)23)18-32-25(29)20-12-14-21(15-13-20)33(30,31)27-16-5-1-2-6-17-27/h3-4,8,10,12-15,23H,1-2,5-7,9,11,16-18H2,(H,26,28)