N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2S)-2-(2-thienyl)pyrrolidino]acetamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCCC3C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C22H29N3O3S2/c26-22(17-24-13-5-7-20(24)21-8-6-16-29-21)23-18-9-11-19(12-10-18)30(27,28)25-14-3-1-2-4-15-25/h6,8-12,16,20H,1-5,7,13-15,17H2,(H,23,26)/t20-/m0/s1