[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone

Systemtic Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone Openeye Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-2-piperidyl]methanone CAS Name: [4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methanone IUPAC Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone Traditional Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-[1-(2-thienylsulfonyl)-2-piperidyl]methanone Formula: C21H23N5O5S3 MolecularWeight: 521.63282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H23N5O5S3/c27-20(17-4-1-2-8-25(17)34(30,31)19-5-3-13-32-19)23-9-11-24(12-10-23)21-22-16-7-6-15(26(28)29)14-18(16)33-21/h3,5-7,13-14,17H,1-2,4,8-12H2