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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N4O3S2/c1-3-4-7-15-8-9-17-19(12-15)29-21(22-17)23-20(26)18-13-16(14-24(18)2)30(27,28)25-10-5-6-11-25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,22,23,26)