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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCCCC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)N1CCCCCC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O6S/c1-16(2)20(21(26)23-9-5-3-4-6-10-23)22-18-8-7-17(15-19(18)25(27)28)32(29,30)24-11-13-31-14-12-24/h7-8,15-16,20,22H,3-6,9-14H2,1-2H3