4-(benzotriazol-1-ylmethyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[3-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-(3-piperidinosulfonylphenyl)benzamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H25N5O3S/c31-25(26-21-7-6-8-22(17-21)34(32,33)29-15-4-1-5-16-29)20-13-11-19(12-14-20)18-30-24-10-3-2-9-23(24)27-28-30/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,26,31)