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

Systemtic Name: [1-(4-tert-butylphenyl)carbonyl-4-sulfanyl-pyrrolidin-2-yl]-piperidin-1-yl-methanone Openeye Name: [1-(4-tert-butylbenzoyl)-4-sulfanyl-pyrrolidin-2-yl]-(1-piperidyl)methanone CAS Name: [1-[(4-tert-butylphenyl)-oxomethyl]-4-mercapto-2-pyrrolidinyl]-(1-piperidinyl)methanone IUPAC Name: [1-(4-tert-butylbenzoyl)-4-sulfanylpyrrolidin-2-yl]-piperidin-1-ylmethanone Traditional Name: [1-(4-tert-butylbenzoyl)-4-mercapto-pyrrolidin-2-yl]-piperidino-methanone Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2S/c1-21(2,3)16-9-7-15(8-10-16)19(24)23-14-17(26)13-18(23)20(25)22-11-5-4-6-12-22/h7-10,17-18,26H,4-6,11-14H2,1-3H3