2-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoylamino]-N-phenethyl-benzamide CAS Name: 2-[[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]-N-phenethylbenzamide Traditional Name: 2-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoylamino]-N-phenethyl-benzamide Formula: C27H30ClN3O4S MolecularWeight: 528.0628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C27H30ClN3O4S/c1-20-14-15-22(28)19-25(20)31(36(2,34)35)18-8-13-26(32)30-24-12-7-6-11-23(24)27(33)29-17-16-21-9-4-3-5-10-21/h3-7,9-12,14-15,19H,8,13,16-18H2,1-2H3,(H,29,33)(H,30,32)