2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[[4-(1-imidazolyl)phenyl]methyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(4-imidazol-1-ylbenzyl)butyramide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)N2C=CN=C2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)N2C=CN=C2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H23ClN4O3S/c1-3-20(26(30(2,28)29)19-6-4-5-17(22)13-19)21(27)24-14-16-7-9-18(10-8-16)25-12-11-23-15-25/h4-13,15,20H,3,14H2,1-2H3,(H,24,27)