N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Systemtic Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Openeye Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-[methyl(2-thienylsulfonyl)amino]butanamide CAS Name: N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide IUPAC Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Traditional Name: N-[2-(4-ethylbenzyl)pyrazol-3-yl]-4-[methyl(2-thienylsulfonyl)amino]butyramide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N4O3S2/c1-3-17-8-10-18(11-9-17)16-25-19(12-13-22-25)23-20(26)6-4-14-24(2)30(27,28)21-7-5-15-29-21/h5,7-13,15H,3-4,6,14,16H2,1-2H3,(H,23,26)