N-[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]-3-(2-phenylethenylsulfonyl)propanamide

Systemtic Name: N-[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]-3-(2-phenylethenylsulfonyl)propanamide Openeye Name: N-[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]-3-styrylsulfonyl-propanamide CAS Name: N-[1-(3-methoxy-3-methylbutyl)-4-pyrazolyl]-3-(2-phenylethenylsulfonyl)propanamide IUPAC Name: N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]-3-(2-phenylethenylsulfonyl)propanamide Traditional Name: N-[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]-3-styrylsulfonyl-propionamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C=C(C=N1)NC(=O)CCS(=O)(=O)C=CC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(CCN1C=C(C=N1)NC(=O)CCS(=O)(=O)C=CC2=CC=CC=C2)OC

InChI

InChI=1S/C20H27N3O4S/c1-20(2,27-3)11-12-23-16-18(15-21-23)22-19(24)10-14-28(25,26)13-9-17-7-5-4-6-8-17/h4-9,13,15-16H,10-12,14H2,1-3H3,(H,22,24)