[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C30H34N2O5S MolecularWeight: 534.66636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H34N2O5S/c33-29(31(23-26-13-7-4-8-14-26)22-19-25-11-5-3-6-12-25)24-37-30(34)27-15-17-28(18-16-27)38(35,36)32-20-9-1-2-10-21-32/h3-8,11-18H,1-2,9-10,19-24H2