[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone CAS Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methanone IUPAC Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Traditional Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H28N2O5S2/c26-23(17-8-11-24(12-9-17)32(27,28)22-5-2-15-31-22)25-10-1-4-19(25)18-6-7-20-21(16-18)30-14-3-13-29-20/h2,5-7,15-17,19H,1,3-4,8-14H2/t19-/m0/s1