N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O4S2/c1-29-18-11-10-16(15-20(18)31(27,28)25-13-4-5-14-25)22(26)23-12-6-9-21-24-17-7-2-3-8-19(17)30-21/h2-3,7-8,10-11,15H,4-6,9,12-14H2,1H3,(H,23,26)