(2-oxidanylidene-2-phenylazanyl-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c22-18-11-10-16(14-19(18)30(27,28)24-12-6-1-2-7-13-24)21(26)29-15-20(25)23-17-8-4-3-5-9-17/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,23,25)