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

Systemtic Name: 5-[[4-(2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-1-prop-2-enyl-indole Openeye Name: 1-allyl-5-[[4-(2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]indole CAS Name: 5-[[4-(2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-1-prop-2-enylindole IUPAC Name: 5-[[4-(2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-1-prop-2-enylindole Traditional Name: 1-allyl-5-[[4-(2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]indole Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C=C4)CC=C

Isomeric SMILES

CCC1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C=C4)CC=C

InChI

InChI=1S/C24H29N3O4S2/c1-3-13-25-16-12-21-19-22(10-11-23(21)25)32(28,29)26-14-7-15-27(18-17-26)33(30,31)24-9-6-5-8-20(24)4-2/h3,5-6,8-12,16,19H,1,4,7,13-15,17-18H2,2H3