4-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)prolyl]amino]-3-methyl-benzoic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O7S/c1-13-11-14(21(25)26)4-6-16(13)22-20(24)17-3-2-8-23(17)31(27,28)15-5-7-18-19(12-15)30-10-9-29-18/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,22,24)(H,25,26)/t17-/m0/s1