2-[methylsulfonyl-(4-phenoxyphenyl)amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[methylsulfonyl-(4-phenoxyphenyl)amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-4-phenoxy-anilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-4-phenoxy-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-30(27,28)25(18-22(26)23-14-7-17-24-15-5-6-16-24)19-10-12-21(13-11-19)29-20-8-3-2-4-9-20/h2-4,8-13H,5-7,14-18H2,1H3,(H,23,26)