2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-(4-tosyl-1,4-diazepan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(N(N=C3C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(N(N=C3C)C)C

InChI

InChI=1S/C20H29N5O3S/c1-15-6-8-18(9-7-15)29(27,28)25-11-5-10-24(12-13-25)14-19(26)21-20-16(2)22-23(4)17(20)3/h6-9H,5,10-14H2,1-4H3,(H,21,26)