2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(5-chloro-2-methoxy-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(5-chloro-N-mesyl-2-methoxy-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C

InChI

InChI=1S/C21H26ClN3O4S/c1-29-20-10-7-17(22)13-19(20)25(30(2,27)28)15-21(26)23-14-16-5-8-18(9-6-16)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,26)