[(2-azanyl-4-methyl-pentanoyl)-(4-propylphenyl)amino]-sulfo-sulfamic acid

Systemtic Name: [(2-azanyl-4-methyl-pentanoyl)-(4-propylphenyl)amino]-sulfo-sulfamic acid Openeye Name: (N-(2-amino-4-methyl-pentanoyl)-4-propyl-anilino)-sulfo-sulfamic acid CAS Name: (N-(2-amino-4-methyl-1-oxopentyl)-4-propylanilino)-sulfosulfamic acid IUPAC Name: (N-(2-amino-4-methylpentanoyl)-4-propylanilino)-sulfosulfamic acid Traditional Name: (N-(2-amino-4-methyl-pentanoyl)-4-propyl-anilino)-sulfo-sulfamic acid Formula: C15H25N3O7S2 MolecularWeight: 423.5049

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N(C(=O)C(CC(C)C)N)N(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)N(C(=O)C(CC(C)C)N)N(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H25N3O7S2/c1-4-5-12-6-8-13(9-7-12)17(15(19)14(16)10-11(2)3)18(26(20,21)22)27(23,24)25/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,20,21,22)(H,23,24,25)