ethanedioic acid; 1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)azepane

Systemtic Name: ethanedioic acid; 1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)azepane Openeye Name: 1-[1-(2-naphthylsulfonyl)-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-(2-naphthalenylsulfonyl)-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)azepane; oxalic acid Traditional Name: 1-[1-(2-naphthylsulfonyl)-4-piperidyl]azepane; oxalic acid Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O2S.C2H2O4/c24-26(25,21-10-9-18-7-3-4-8-19(18)17-21)23-15-11-20(12-16-23)22-13-5-1-2-6-14-22;3-1(4)2(5)6/h3-4,7-10,17,20H,1-2,5-6,11-16H2;(H,3,4)(H,5,6)