1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-4-(2-nitroanilino)butan-1-one Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N4O7S/c27-22(6-3-9-23-18-4-1-2-5-19(18)26(28)29)24-10-12-25(13-11-24)34(30,31)17-7-8-20-21(16-17)33-15-14-32-20/h1-2,4-5,7-8,16,23H,3,6,9-15H2