3-(azepan-1-ylsulfonyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(1S,2S)-1-methyl-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(1S,2S)-1-(1-pyrrolidinyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(1S,2S)-1-methyl-2-pyrrolidino-2-(2-thienyl)ethyl]benzamide Formula: C24H33N3O3S2 MolecularWeight: 475.66712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CS1)N2CCCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H33N3O3S2/c1-19(23(22-12-9-17-31-22)26-13-6-7-14-26)25-24(28)20-10-8-11-21(18-20)32(29,30)27-15-4-2-3-5-16-27/h8-12,17-19,23H,2-7,13-16H2,1H3,(H,25,28)/t19-,23-/m0/s1