[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C24H28N2O5S/c27-23(25-20-12-13-20)22(18-8-4-3-5-9-18)31-24(28)19-10-14-21(15-11-19)32(29,30)26-16-6-1-2-7-17-26/h3-5,8-11,14-15,20,22H,1-2,6-7,12-13,16-17H2,(H,25,27)