2-azanyl-5-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyrrolidin-1-ylmethyl)benzoic acid

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyrrolidin-1-ylmethyl)benzoic acid Openeye Name: 2-amino-4-tert-butoxycarbonyl-5-(4-methoxyphenyl)sulfonyl-3-(pyrrolidin-1-ylmethyl)benzoic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(1-pyrrolidinylmethyl)benzoic acid IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyrrolidin-1-ylmethyl)benzoic acid Traditional Name: 2-amino-4-tert-butoxycarbonyl-5-(4-methoxyphenyl)sulfonyl-3-(pyrrolidinomethyl)benzoic acid Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C(=C1CN2CCCC2)N)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C(=C1CN2CCCC2)N)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H30N2O7S/c1-24(2,3)33-23(29)20-18(14-26-11-5-6-12-26)21(25)17(22(27)28)13-19(20)34(30,31)16-9-7-15(32-4)8-10-16/h7-10,13H,5-6,11-12,14,25H2,1-4H3,(H,27,28)