N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[(2-methyl-1H-indol-3-yl)thio]ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-methyl-1H-indol-3-yl)thio]ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)SCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)SCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-16-21(19-6-2-3-7-20(19)24-16)29-15-12-23-22(26)17-8-10-18(11-9-17)30(27,28)25-13-4-5-14-25/h2-3,6-11,24H,4-5,12-15H2,1H3,(H,23,26)