5-(3-piperidin-1-ylsulfonylphenyl)-3-(1,4-thiazepan-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3-piperidin-1-ylsulfonylphenyl)-3-(1,4-thiazepan-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-[3-(1-piperidylsulfonyl)phenyl]-3-(1,4-thiazepan-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-[3-(1-piperidinylsulfonyl)phenyl]-3-(1,4-thiazepan-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-piperidin-1-ylsulfonylphenyl)-3-(1,4-thiazepan-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-piperidinosulfonylphenyl)-3-(1,4-thiazepan-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C19H27N4O3S3+ MolecularWeight: 455.63768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)O3)C[NH+]4CCCSCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)O3)C[NH+]4CCCSCC4

InChI

InChI=1S/C19H26N4O3S3/c24-29(25,22-9-2-1-3-10-22)17-7-4-6-16(14-17)18-20-23(19(27)26-18)15-21-8-5-12-28-13-11-21/h4,6-7,14H,1-3,5,8-13,15H2/p+1