3-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[[2-(5-piperidinosulfonyl-2-thienyl)acetyl]amino]-4-pyrrolidino-benzamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4

InChI

InChI=1S/C22H28N4O4S2/c23-22(28)16-6-8-19(25-10-4-5-11-25)18(14-16)24-20(27)15-17-7-9-21(31-17)32(29,30)26-12-2-1-3-13-26/h6-9,14H,1-5,10-13,15H2,(H2,23,28)(H,24,27)