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

Systemtic Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-(4-pyrrolidin-1-yl-1-piperidyl)prop-2-en-1-one CAS Name: 2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Traditional Name: 2-[3-nitro-4-(o-cumenylthio)phenyl]-1-(4-pyrrolidinopiperidino)prop-2-en-1-one Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(CC3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(CC3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C27H33N3O3S/c1-19(2)23-8-4-5-9-25(23)34-26-11-10-21(18-24(26)30(32)33)20(3)27(31)29-16-12-22(13-17-29)28-14-6-7-15-28/h4-5,8-11,18-19,22H,3,6-7,12-17H2,1-2H3