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

Systemtic Name: [1-(4-tert-butylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]-piperidin-1-yl-methanone Openeye Name: [1-(4-tert-butylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]-(1-piperidyl)methanone CAS Name: [1-(4-tert-butylphenyl)sulfonyl-4-mercapto-2-pyrrolidinyl]-(1-piperidinyl)methanone IUPAC Name: [1-(4-tert-butylphenyl)sulfonyl-4-sulfanylpyrrolidin-2-yl]-piperidin-1-ylmethanone Traditional Name: [1-(4-tert-butylphenyl)sulfonyl-4-mercapto-pyrrolidin-2-yl]-piperidino-methanone Formula: C20H30N2O3S2 MolecularWeight: 410.5938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3S2/c1-20(2,3)15-7-9-17(10-8-15)27(24,25)22-14-16(26)13-18(22)19(23)21-11-5-4-6-12-21/h7-10,16,18,26H,4-6,11-14H2,1-3H3