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

Systemtic Name: N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[(2-phenyl-1H-indol-3-yl)thio]ethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-phenyl-1H-indol-3-yl)thio]ethyl]-4-piperidinosulfonyl-benzamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCSC3=C(NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCSC3=C(NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3S2/c32-28(22-13-15-23(16-14-22)36(33,34)31-18-7-2-8-19-31)29-17-20-35-27-24-11-5-6-12-25(24)30-26(27)21-9-3-1-4-10-21/h1,3-6,9-16,30H,2,7-8,17-20H2,(H,29,32)