2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]propanamide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]propanamide Openeye Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide CAS Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[4-(1-imidazolyl)phenyl]methyl]propanamide IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(4-imidazol-1-ylbenzyl)propionamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4S/c1-15(26(31(3,28)29)18-8-9-20(30-2)19(22)12-18)21(27)24-13-16-4-6-17(7-5-16)25-11-10-23-14-25/h4-12,14-15H,13H2,1-3H3,(H,24,27)