2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butan-1-one CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-(4-pyrrolidinosulfonylpiperazino)butan-1-one Formula: C20H29N5O5S2 MolecularWeight: 483.60476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H29N5O5S2/c1-15(2)18(21-19-16-7-3-4-8-17(16)31(27,28)22-19)20(26)23-11-13-25(14-12-23)32(29,30)24-9-5-6-10-24/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3,(H,21,22)