N-(pyridin-3-ylmethyl)-4-(1-thiophen-2-ylsulfonylindol-3-yl)butanamide

Systemtic Name: N-(pyridin-3-ylmethyl)-4-(1-thiophen-2-ylsulfonylindol-3-yl)butanamide Openeye Name: N-(3-pyridylmethyl)-4-[1-(2-thienylsulfonyl)indol-3-yl]butanamide CAS Name: N-(3-pyridinylmethyl)-4-(1-thiophen-2-ylsulfonyl-3-indolyl)butanamide IUPAC Name: N-(pyridin-3-ylmethyl)-4-(1-thiophen-2-ylsulfonylindol-3-yl)butanamide Traditional Name: N-(3-pyridylmethyl)-4-[1-(2-thienylsulfonyl)indol-3-yl]butyramide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CS3)CCCC(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CS3)CCCC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H21N3O3S2/c26-21(24-15-17-6-4-12-23-14-17)10-3-7-18-16-25(20-9-2-1-8-19(18)20)30(27,28)22-11-5-13-29-22/h1-2,4-6,8-9,11-14,16H,3,7,10,15H2,(H,24,26)