2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-pyrrolidino-ethanone Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3

InChI

InChI=1S/C18H26N2O4S/c21-18(19-11-5-6-12-19)15-24-16-7-9-17(10-8-16)25(22,23)20-13-3-1-2-4-14-20/h7-10H,1-6,11-15H2