3-methyl-1-(4-methylpiperidin-1-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butan-1-one

Systemtic Name: 3-methyl-1-(4-methylpiperidin-1-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butan-1-one Openeye Name: 3-methyl-1-(4-methyl-1-piperidyl)-2-(4-morpholinosulfonyl-2-nitro-anilino)butan-1-one CAS Name: 3-methyl-1-(4-methyl-1-piperidinyl)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]-1-butanone IUPAC Name: 3-methyl-1-(4-methylpiperidin-1-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butan-1-one Traditional Name: 3-methyl-1-(4-methylpiperidino)-2-(4-morpholinosulfonyl-2-nitro-anilino)butan-1-one Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C(C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C(C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O6S/c1-15(2)20(21(26)23-8-6-16(3)7-9-23)22-18-5-4-17(14-19(18)25(27)28)32(29,30)24-10-12-31-13-11-24/h4-5,14-16,20,22H,6-13H2,1-3H3