N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-butoxypropylamino)ethanamide; ethanedioic acid

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-butoxypropylamino)ethanamide; ethanedioic acid Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-butoxypropylamino)acetamide; oxalic acid CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3-butoxypropylamino)acetamide; oxalic acid IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3-butoxypropylamino)acetamide; oxalic acid Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-butoxypropylamino)acetamide; oxalic acid Formula: C24H39N3O8S MolecularWeight: 529.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNCC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCOCCCNCC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H37N3O4S.C2H2O4/c1-3-4-15-29-16-9-12-23-18-22(26)24-20-11-10-19(2)21(17-20)30(27,28)25-13-7-5-6-8-14-25;3-1(4)2(5)6/h10-11,17,23H,3-9,12-16,18H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)