3-(2,2-dimethylpropanoylamino)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide

Systemtic Name: 3-(2,2-dimethylpropanoylamino)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide Openeye Name: 3-(2,2-dimethylpropanoylamino)-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]benzamide CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]benzamide IUPAC Name: 3-(2,2-dimethylpropanoylamino)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide Traditional Name: 3-(pivaloylamino)-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]benzamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-21(2,3)20(26)23-16-8-6-7-15(13-16)19(25)22-14-17-9-10-18(29-17)30(27,28)24-11-4-5-12-24/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,22,25)(H,23,26)