2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C22H29N3O3S2/c26-22(25-14-6-10-20(25)21-11-7-15-29-21)17-23-18-8-5-9-19(16-18)30(27,28)24-12-3-1-2-4-13-24/h5,7-9,11,15-16,20,23H,1-4,6,10,12-14,17H2