N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]propanamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-besyl-propionamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N6O3S/c26-19(10-11-29(27,28)16-6-2-1-3-7-16)21-15-12-20-24(13-15)14-25-18-9-5-4-8-17(18)22-23-25/h1-9,12-13H,10-11,14H2,(H,21,26)