4-butyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide CAS Name: 4-butyl-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H31N3O3S2/c1-2-3-6-16-7-9-17(10-8-16)21(26)24-22-23-19-12-11-18(15-20(19)29-22)30(27,28)25-13-4-5-14-25/h11-12,15-17H,2-10,13-14H2,1H3,(H,23,24,26)