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

Systemtic Name: N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[(2-phenyl-1H-indol-3-yl)thio]ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-phenyl-1H-indol-3-yl)thio]ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCSC3=C(NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCSC3=C(NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3S2/c31-27(21-12-14-22(15-13-21)35(32,33)30-17-6-7-18-30)28-16-19-34-26-23-10-4-5-11-24(23)29-25(26)20-8-2-1-3-9-20/h1-5,8-15,29H,6-7,16-19H2,(H,28,31)