2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Openeye Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyrrolidin-1-yl-1-piperidyl)prop-2-en-1-one CAS Name: 2-(4-mercapto-3-nitrophenyl)-1-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: 2-(3-nitro-4-sulfanylphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-1-(4-pyrrolidinopiperidino)prop-2-en-1-one Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(CC2)N3CCCC3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(CC2)N3CCCC3

InChI

InChI=1S/C18H23N3O3S/c1-13(14-4-5-17(25)16(12-14)21(23)24)18(22)20-10-6-15(7-11-20)19-8-2-3-9-19/h4-5,12,15,25H,1-3,6-11H2