2-tert-butylsulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile

Systemtic Name: 2-tert-butylsulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile Openeye Name: 2-tert-butylsulfonyl-3-(4-pyrrol-1-yl-1-piperidyl)prop-2-enenitrile CAS Name: 2-tert-butylsulfonyl-3-[4-(1-pyrrolyl)-1-piperidinyl]-2-propenenitrile IUPAC Name: 2-tert-butylsulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile Traditional Name: 2-tert-butylsulfonyl-3-(4-pyrrol-1-ylpiperidino)acrylonitrile Formula: C16H23N3O2S MolecularWeight: 321.43772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=CN1CCC(CC1)N2C=CC=C2)C#N

Isomeric SMILES

CC(C)(C)S(=O)(=O)C(=CN1CCC(CC1)N2C=CC=C2)C#N

InChI

InChI=1S/C16H23N3O2S/c1-16(2,3)22(20,21)15(12-17)13-18-10-6-14(7-11-18)19-8-4-5-9-19/h4-5,8-9,13-14H,6-7,10-11H2,1-3H3