2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(2-isopropyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(2-isopropyl-N-mesyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=CC=C1N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O3S/c1-18(2)21-8-4-5-9-22(21)26(30(3,28)29)17-23(27)24-16-19-10-12-20(13-11-19)25-14-6-7-15-25/h4-5,8-13,18H,6-7,14-17H2,1-3H3,(H,24,27)