N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1-phenylethylamino)ethanamide; ethanedioic acid

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1-phenylethylamino)ethanamide; ethanedioic acid Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1-phenylethylamino)acetamide; oxalic acid CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(1-phenylethylamino)acetamide; oxalic acid IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1-phenylethylamino)acetamide; oxalic acid Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1-phenylethylamino)acetamide; oxalic acid Formula: C24H30ClN3O7S MolecularWeight: 540.0289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28ClN3O3S.C2H2O4/c1-17(18-9-5-4-6-10-18)24-16-22(27)25-21-15-19(11-12-20(21)23)30(28,29)26-13-7-2-3-8-14-26;3-1(4)2(5)6/h4-6,9-12,15,17,24H,2-3,7-8,13-14,16H2,1H3,(H,25,27);(H,3,4)(H,5,6)