2-[[[4-azanyl-2-(1-hydroxyethylsulfonyl)phenyl]-propyl-amino]-carboxy-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[[4-azanyl-2-(1-hydroxyethylsulfonyl)phenyl]-propyl-amino]-carboxy-amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-amino-2-(1-hydroxyethylsulfonyl)-N-propyl-anilino]-carboxy-amino]cyclohexanecarboxylic acid CAS Name: 2-[[4-amino-2-(1-hydroxyethylsulfonyl)-N-propylanilino]-carboxyamino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-amino-2-(1-hydroxyethylsulfonyl)-N-propylanilino]-carboxyamino]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-amino-2-(1-hydroxyethylsulfonyl)-N-propyl-anilino]-carboxy-amino]cyclohexanecarboxylic acid Formula: C19H29N3O7S MolecularWeight: 443.51446

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C=C1)N)S(=O)(=O)C(C)O)N(C2CCCCC2C(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=C(C=C(C=C1)N)S(=O)(=O)C(C)O)N(C2CCCCC2C(=O)O)C(=O)O

InChI

InChI=1S/C19H29N3O7S/c1-3-10-21(16-9-8-13(20)11-17(16)30(28,29)12(2)23)22(19(26)27)15-7-5-4-6-14(15)18(24)25/h8-9,11-12,14-15,23H,3-7,10,20H2,1-2H3,(H,24,25)(H,26,27)