N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C24H30N6O4S MolecularWeight: 498.5978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C24H30N6O4S/c1-3-28(4-2)23-10-9-21(35(32,33)30-11-13-34-14-12-30)15-22(23)27-24(31)20-7-5-19(6-8-20)16-29-18-25-17-26-29/h5-10,15,17-18H,3-4,11-14,16H2,1-2H3,(H,27,31)