2-[[4-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]pentyl]amino]ethanoic acid

Systemtic Name: 2-[[4-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]pentyl]amino]ethanoic acid Openeye Name: 2-[[4-methyl-2-[[1-(p-tolylsulfonyl)pyrrolidin-2-yl]methylamino]pentyl]amino]acetic acid CAS Name: 2-[[4-methyl-2-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methylamino]pentyl]amino]acetic acid IUPAC Name: 2-[[4-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]pentyl]amino]acetic acid Traditional Name: 2-[[4-methyl-2-[(1-tosylpyrrolidin-2-yl)methylamino]pentyl]amino]acetic acid Formula: C20H33N3O4S MolecularWeight: 411.55872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(CC(C)C)CNCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(CC(C)C)CNCC(=O)O

InChI

InChI=1S/C20H33N3O4S/c1-15(2)11-17(12-21-14-20(24)25)22-13-18-5-4-10-23(18)28(26,27)19-8-6-16(3)7-9-19/h6-9,15,17-18,21-22H,4-5,10-14H2,1-3H3,(H,24,25)