5-[[4-(phenylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-1-prop-2-enyl-indole

Systemtic Name: 5-[[4-(phenylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-1-prop-2-enyl-indole Openeye Name: 1-allyl-5-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]sulfonyl]indole CAS Name: 5-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]sulfonyl]-1-prop-2-enylindole IUPAC Name: 5-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]sulfonyl]-1-prop-2-enylindole Traditional Name: 1-allyl-5-[(4-besyl-1,4-diazepan-1-yl)sulfonyl]indole Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S2/c1-2-12-23-15-11-19-18-21(9-10-22(19)23)31(28,29)25-14-6-13-24(16-17-25)30(26,27)20-7-4-3-5-8-20/h2-5,7-11,15,18H,1,6,12-14,16-17H2