2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[(3-ethoxyphenyl)methyl]butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[(3-ethoxyphenyl)methyl]butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[(3-ethoxyphenyl)methyl]butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(3-ethoxybenzyl)butyramide Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC(=CC=C1)OCC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CC(=CC=C1)OCC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H25ClN2O4S/c1-4-19(23(28(3,25)26)17-10-7-9-16(21)13-17)20(24)22-14-15-8-6-11-18(12-15)27-5-2/h6-13,19H,4-5,14H2,1-3H3,(H,22,24)