2-[(4-ethoxyphenyl)sulfonyl-methyl-amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-ethoxyphenyl)sulfonyl-methyl-amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(4-ethoxyphenyl)sulfonyl-methyl-amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide CAS Name: 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[methyl(p-phenetylsulfonyl)amino]-N-(4-pyrrolidinosulfonylbenzyl)acetamide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H29N3O6S2/c1-3-31-19-8-12-20(13-9-19)32(27,28)24(2)17-22(26)23-16-18-6-10-21(11-7-18)33(29,30)25-14-4-5-15-25/h6-13H,3-5,14-17H2,1-2H3,(H,23,26)