2-[1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(2-ethylpiperidino)sulfonylphenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C25H31N3O4S3 MolecularWeight: 533.72634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H31N3O4S3/c1-2-20-7-5-6-16-28(20)35(31,32)22-12-10-21(11-13-22)34(29,30)27-17-14-19(15-18-27)25-26-23-8-3-4-9-24(23)33-25/h3-4,8-13,19-20H,2,5-7,14-18H2,1H3