3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-[(5-methyl-2-thienyl)methyl]pyrazol-3-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-[(5-methyl-2-thiophenyl)methyl]-3-pyrazolyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-[(5-methyl-2-thienyl)methyl]pyrazol-3-yl]benzamide Formula: C22H25ClN4O3S2 MolecularWeight: 493.0419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN2C(=CC=N2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(S1)CN2C(=CC=N2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25ClN4O3S2/c1-16-6-8-18(31-16)15-27-21(10-11-24-27)25-22(28)17-7-9-19(23)20(14-17)32(29,30)26-12-4-2-3-5-13-26/h6-11,14H,2-5,12-13,15H2,1H3,(H,25,28)