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

Systemtic Name: 2-[methylsulfonyl-(4-phenoxyphenyl)amino]-N-(3-pyrrolidin-1-ylpropyl)propanamide Openeye Name: 2-(N-methylsulfonyl-4-phenoxy-anilino)-N-(3-pyrrolidin-1-ylpropyl)propanamide CAS Name: 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(1-pyrrolidinyl)propyl]propanamide IUPAC Name: 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)propanamide Traditional Name: 2-(N-mesyl-4-phenoxy-anilino)-N-(3-pyrrolidinopropyl)propionamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S/c1-19(23(27)24-15-8-18-25-16-6-7-17-25)26(31(2,28)29)20-11-13-22(14-12-20)30-21-9-4-3-5-10-21/h3-5,9-14,19H,6-8,15-18H2,1-2H3,(H,24,27)