[1-(4-butoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-(4-butoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]-piperidin-1-yl-methanone Openeye Name: [1-(4-butoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]-(1-piperidyl)methanone CAS Name: [1-(4-butoxyphenyl)sulfonyl-4-mercapto-2-pyrrolidinyl]-(1-piperidinyl)methanone IUPAC Name: [1-(4-butoxyphenyl)sulfonyl-4-sulfanylpyrrolidin-2-yl]-piperidin-1-ylmethanone Traditional Name: [1-(4-butoxyphenyl)sulfonyl-4-mercapto-pyrrolidin-2-yl]-piperidino-methanone Formula: C20H30N2O4S2 MolecularWeight: 426.5932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)N3CCCCC3)S

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)N3CCCCC3)S

InChI

InChI=1S/C20H30N2O4S2/c1-2-3-13-26-16-7-9-18(10-8-16)28(24,25)22-15-17(27)14-19(22)20(23)21-11-5-4-6-12-21/h7-10,17,19,27H,2-6,11-15H2,1H3