N-[4-[4-(azepan-1-yl)piperidin-1-yl]sulfonylphenyl]ethanamide; ethanedioic acid

Systemtic Name: N-[4-[4-(azepan-1-yl)piperidin-1-yl]sulfonylphenyl]ethanamide; ethanedioic acid Openeye Name: N-[4-[[4-(azepan-1-yl)-1-piperidyl]sulfonyl]phenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-(1-azepanyl)-1-piperidinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-(azepan-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: N-[4-[4-(azepan-1-yl)piperidino]sulfonylphenyl]acetamide; oxalic acid Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O3S.C2H2O4/c1-16(23)20-17-6-8-19(9-7-17)26(24,25)22-14-10-18(11-15-22)21-12-4-2-3-5-13-21;3-1(4)2(5)6/h6-9,18H,2-5,10-15H2,1H3,(H,20,23);(H,3,4)(H,5,6)