3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-nitro-anilino]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-nitroanilino]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitroanilino]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[4-(3,5-dimethylpiperidino)sulfonyl-2-nitro-anilino]-1-pyrrolidino-propan-1-one Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H30N4O5S/c1-15-11-16(2)14-23(13-15)30(28,29)17-5-6-18(19(12-17)24(26)27)21-8-7-20(25)22-9-3-4-10-22/h5-6,12,15-16,21H,3-4,7-11,13-14H2,1-2H3