N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-tosyl-propionamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C18H17ClN4O3S/c1-13-2-5-15(6-3-13)27(25,26)9-8-18(24)22-16-10-14(19)4-7-17(16)23-12-20-11-21-23/h2-7,10-12H,8-9H2,1H3,(H,22,24)