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

Systemtic Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[2-(diethylamino)-5-(1-piperidylsulfonyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-(diethylamino)-5-(1-piperidinylsulfonyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[2-(diethylamino)-5-piperidinosulfonyl-phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C25H32N6O3S MolecularWeight: 496.62498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C25H32N6O3S/c1-3-29(4-2)24-13-12-22(35(33,34)31-14-6-5-7-15-31)16-23(24)28-25(32)21-10-8-20(9-11-21)17-30-19-26-18-27-30/h8-13,16,18-19H,3-7,14-15,17H2,1-2H3,(H,28,32)