1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-(4-nitroanilino)butan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-4-(4-nitroanilino)-1-butanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-(4-nitroanilino)butan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-4-(4-nitroanilino)butan-1-one Formula: C20H31N5O5S MolecularWeight: 453.55564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H31N5O5S/c26-20(6-5-11-21-18-7-9-19(10-8-18)25(27)28)22-14-16-24(17-15-22)31(29,30)23-12-3-1-2-4-13-23/h7-10,21H,1-6,11-17H2