N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-morpholinosulfonyl-benzamide Formula: C19H18ClN5O4S MolecularWeight: 447.89532

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C19H18ClN5O4S/c20-15-4-5-18(25-13-21-12-22-25)17(11-15)23-19(26)14-2-1-3-16(10-14)30(27,28)24-6-8-29-9-7-24/h1-5,10-13H,6-9H2,(H,23,26)